tert-Butyl (8-Bromo-4-(dipropylcarbamoyl)-3H-benzo[b]azepin-2-yl)carbamate - CAS 1226791-82-7
Catalog: |
BB070960 |
Product Name: |
tert-Butyl (8-Bromo-4-(dipropylcarbamoyl)-3H-benzo[b]azepin-2-yl)carbamate |
CAS: |
1226791-82-7 |
Synonyms: |
tert-Butyl (8-bromo-4-(dipropylcarbamoyl)-3H-benzo[b]azepin-2-yl)carbamate; tert-butyl N-[8-bromo-4-(dipropylcarbamoyl)-3H-1-benzazepin-2-yl]carbamate; tert-butyl (1E,4E)-8-bromo-4-(dipropylcarbamoyl)-3H-benzo[b]azepin-2-ylcarbamate |
IUPAC Name: | tert-butyl N-[8-bromo-4-(dipropylcarbamoyl)-3H-1-benzazepin-2-yl]carbamate |
Molecular Weight: | 464.4 |
Molecular Formula: | C22H30BrN3O3 |
Canonical SMILES: | CCCN(CCC)C(=O)C1=CC2=C(C=C(C=C2)Br)N=C(C1)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C22H30BrN3O3/c1-6-10-26(11-7-2)20(27)16-12-15-8-9-17(23)14-18(15)24-19(13-16)25-21(28)29-22(3,4)5/h8-9,12,14H,6-7,10-11,13H2,1-5H3,(H,24,25,28) |
InChI Key: | XTXSHYWOXQLMFY-UHFFFAOYSA-N |
Complexity: | 648 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 463.14705 |
Formal Charge: | 0 |
Heavy Atom Count: | 29 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 463.14705 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 71Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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