Benzyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8h)-carboxylate - CAS 1370411-44-1

Catalog:	BB073710
Product Name:	Benzyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8h)-carboxylate
CAS:	1370411-44-1
Synonyms:	Benzyl 2,4-dichloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate; benzyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate; 7-Cbz-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine; Benzyl 2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate

Technical Data

IUPAC Name:	benzyl 2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
Molecular Weight:	338.19
Molecular Formula:	C15H13Cl2N3O2
Canonical SMILES:	C1CN(CC2=C1C(=NC(=N2)Cl)Cl)C(=O)OCC3=CC=CC=C3
InChI:	InChI=1S/C15H13Cl2N3O2/c16-13-11-6-7-20(8-12(11)18-14(17)19-13)15(21)22-9-10-4-2-1-3-5-10/h1-5H,6-9H2
InChI Key:	XLMNHZAOTDBGMV-UHFFFAOYSA-N

Complexity:	393
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	337.0384821
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	337.0384821
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4