N-[2-(benzylsulfanyl)ethyl]-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(benzylsulfanyl)ethyl]-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061411 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 475.63 |
| Molecular Formula: | C26 H25 N3 O2 S2 |
| Smiles: | C(CN1C(c2ccc(cc2NC1=S)C(NCCSCc1ccccc1)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6334 |
| logD: | 4.6258 |
| logSw: | -4.6059 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.551 |
| InChI Key: | VXWHJQSAUOSJAG-UHFFFAOYSA-N |