N-[3-(azepan-1-yl)propyl]-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[3-(azepan-1-yl)propyl]-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | K284-3571 |
Compound Name: | N-[3-(azepan-1-yl)propyl]-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
Molecular Weight: | 485.05 |
Molecular Formula: | C25 H29 Cl N4 O2 S |
Smiles: | C1CCCN(CC1)CCCNC(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.469 |
logD: | 1.8983 |
logSw: | -4.6315 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 55.886 |
InChI Key: | UZZPIJHVKRFWSO-UHFFFAOYSA-N |