N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061407 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 463.98 |
| Molecular Formula: | C25 H22 Cl N3 O2 S |
| Smiles: | C(CNC(c1ccc2C(N(CCc3ccccc3)C(Nc2c1)=S)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7033 |
| logD: | 4.6956 |
| logSw: | -4.944 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.551 |
| InChI Key: | NZBBOAVSBVVOII-UHFFFAOYSA-N |