N-(5-chloro-2-methoxyphenyl)-4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(5-chloro-2-methoxyphenyl)-4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061232 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 437.9 |
| Molecular Formula: | C22 H16 Cl N3 O3 S |
| Smiles: | COc1ccc(cc1NC(c1ccc2C(N(C(Nc2c1)=S)c1ccccc1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1483 |
| logD: | 3.9734 |
| logSw: | -4.6105 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.73 |
| InChI Key: | HBZWQZCUXCXZEL-UHFFFAOYSA-N |