N-[2-(benzylsulfanyl)ethyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(benzylsulfanyl)ethyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061367 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 441.61 |
| Molecular Formula: | C23 H27 N3 O2 S2 |
| Smiles: | CCCCCN1C(c2ccc(cc2NC1=S)C(NCCSCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8433 |
| logD: | 4.8407 |
| logSw: | -4.5176 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.823 |
| InChI Key: | GQAXTDRQAPZBTB-UHFFFAOYSA-N |