N-benzyl-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-benzyl-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061163 |
| Compound Name: | N-benzyl-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C24 H21 N3 O3 S |
| Smiles: | COc1ccc(CN2C(c3ccc(cc3NC2=S)C(NCc2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0583 |
| logD: | 4.0574 |
| logSw: | -4.267 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.275 |
| InChI Key: | WCGFKYMFCFVUIN-UHFFFAOYSA-N |