N-[(3,4-dichlorophenyl)methyl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(3,4-dichlorophenyl)methyl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(3,4-dichlorophenyl)methyl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0867 |
| Compound Name: | N-[(3,4-dichlorophenyl)methyl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 500.4 |
| Molecular Formula: | C24 H19 Cl2 N3 O3 S |
| Smiles: | COc1ccccc1CN1C(c2ccc(cc2NC1=S)C(NCc1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.387 |
| logD: | 5.3861 |
| logSw: | -5.8528 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.362 |
| InChI Key: | XBMZGRUQGFNHOV-UHFFFAOYSA-N |