N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | A0061195 |
Compound Name: | N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
Molecular Weight: | 451.93 |
Molecular Formula: | C23 H18 Cl N3 O3 S |
Smiles: | COc1ccc(cc1)N1C(c2ccc(cc2NC1=S)C(NCc1ccccc1[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.249 |
logD: | 4.2354 |
logSw: | -4.4713 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 58.664 |
InChI Key: | MMIBWLUHBIMGGR-UHFFFAOYSA-N |