(R)-Tert-butyl(1-((1-(3,5-bis(trifluoromethyl)benzyl)-2,5-dioxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)carbamoyl)cyclopropyl)carbamate - CAS 1227260-97-0

Catalog:	BB057722
Product Name:	(R)-Tert-butyl(1-((1-(3,5-bis(trifluoromethyl)benzyl)-2,5-dioxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)carbamoyl)cyclopropyl)carbamate
CAS:	1227260-97-0
Synonyms:	N-[1-[[[(3R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrahydro-2,5-dioxo-1H-1-benzazepin-3-yl]amino]carbonyl]cyclopropyl]-carbamic Acid 1,1-Dimethylethyl Ester

Technical Data

IUPAC Name:	tert-butyl N-[1-[[(3R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,5-dioxo-3,4-dihydro-1-benzazepin-3-yl]carbamoyl]cyclopropyl]carbamate
Description:	(R)-Tert-butyl(1-((1-(3,5-bis(trifluoromethyl)benzyl)-2,5-dioxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)carbamoyl)cyclopropyl)carbamate is used as a reagent in the synthesis of azepinone derivatives as diacylglycerol acyltransferase 1 (DGAT1) inhibitors useful in the treatment of diseases.
Molecular Weight:	599.52
Molecular Formula:	C28H27F6N3O5
Canonical SMILES:	CC(C)(C)OC(=O)NC1(CC1)C(=O)NC2CC(=O)C3=CC=CC=C3N(C2=O)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI:	InChI=1S/C28H27F6N3O5/c1-25(2,3)42-24(41)36-26(8-9-26)23(40)35-19-13-21(38)18-6-4-5-7-20(18)37(22(19)39)14-15-10-16(27(29,30)31)12-17(11-15)28(32,33)34/h4-7,10-12,19H,8-9,13-14H2,1-3H3,(H,35,40)(H,36,41)/t19-/m1/s1
InChI Key:	YDTAZUGGIZWHTK-LJQANCHMSA-N
References:	Liu, J., et al. Obesity, 21, 1406 (2013); Okamoto, O., et al. PCT Int. Appl. WO 2010056496 A1 20100520. May 20, 2010.

Complexity:	1050
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	599.18548994
Formal Charge:	0
Heavy Atom Count:	42
Hydrogen Bond Acceptor Count:	11
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	599.18548994
Rotatable Bond Count:	7
Topological Polar Surface Area:	105Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5