N-[2-(benzylsulfanyl)ethyl]-4-oxo-3-propyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-4-oxo-3-propyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(benzylsulfanyl)ethyl]-4-oxo-3-propyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0413 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-4-oxo-3-propyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 413.56 |
| Molecular Formula: | C21 H23 N3 O2 S2 |
| Smiles: | CCCN1C(c2ccc(cc2NC1=S)C(NCCSCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7217 |
| logD: | 3.719 |
| logSw: | -3.9442 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.823 |
| InChI Key: | FSPBQVYDAVERKA-UHFFFAOYSA-N |