N-[2-(benzylsulfanyl)ethyl]-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(benzylsulfanyl)ethyl]-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0523 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C21 H23 N3 O3 S2 |
| Smiles: | COCCN1C(c2ccc(cc2NC1=S)C(NCCSCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7533 |
| logD: | 2.7506 |
| logSw: | -3.5308 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.165 |
| InChI Key: | JUUSQEWGHCCSAY-UHFFFAOYSA-N |