N-[2-(benzylsulfanyl)ethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(benzylsulfanyl)ethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0062071 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C25 H23 N3 O3 S2 |
| Smiles: | COc1ccc(cc1)N1C(c2ccc(cc2NC1=S)C(NCCSCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9254 |
| logD: | 3.9118 |
| logSw: | -4.1514 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.505 |
| InChI Key: | YZYGUESKAXITEQ-UHFFFAOYSA-N |