Name: Name:Benzyl 2,4-dichloro-8,9-dihydro-5h-pyrimido-[4,5-d]azepine-7(6h)-carboxylate
Brand: Angene
SKU: AG007PN5
Rating: 90 (10 reviews)

Benzyl 2,4-dichloro-8,9-dihydro-5h-pyrimido-[4,5-d]azepine-7(6h)-carboxylate

CAS No.:

1207362-38-6

Catalog Number:

AG007PN5

Molecular Formula:

C16H15Cl2N3O2

Molecular Weight:

352.2152

Catalog Number:

AG007PN5

Chemical Name:

Benzyl 2,4-dichloro-8,9-dihydro-5h-pyrimido-[4,5-d]azepine-7(6h)-carboxylate

CAS Number:

1207362-38-6

Molecular Formula:

C16H15Cl2N3O2

Molecular Weight:

352.2152

MDL Number:

MFCD17011871

IUPAC Name:

benzyl 2,4-dichloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate

InChI:

InChI=1S/C16H15Cl2N3O2/c17-14-12-6-8-21(9-7-13(12)19-15(18)20-14)16(22)23-10-11-4-2-1-3-5-11/h1-5H,6-10H2

InChI Key:

ISQBQGSKOWIRSS-UHFFFAOYSA-N

SMILES:

Clc1nc2CCN(CCc2c(n1)Cl)C(=O)OCc1ccccc1

Complexity:

407

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

351.054g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

352.215g/mol

Monoisotopic Mass:

351.054g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9