N-[2-(benzylsulfanyl)ethyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(benzylsulfanyl)ethyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0798 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 479.66 |
| Molecular Formula: | C26 H29 N3 O2 S2 |
| Smiles: | C1CCC(CCN2C(c3ccc(cc3NC2=S)C(NCCSCc2ccccc2)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.8895 |
| logD: | 4.8862 |
| logSw: | -4.7687 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.743 |
| InChI Key: | ZMEFWUNOYCFAMK-UHFFFAOYSA-N |