3-[(2-chlorophenyl)methyl]-4-oxo-N-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-4-oxo-N-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2-chlorophenyl)methyl]-4-oxo-N-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-0036 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-4-oxo-N-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 449.96 |
| Molecular Formula: | C24 H20 Cl N3 O2 S |
| Smiles: | C(CNC(c1ccc2C(N(Cc3ccccc3[Cl])C(Nc2c1)=S)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4933 |
| logD: | 4.4928 |
| logSw: | -4.6327 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.573 |
| InChI Key: | HWUILDOQRMKKJH-UHFFFAOYSA-N |