N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K292-1588 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 431.62 |
| Molecular Formula: | C22 H29 N3 O2 S2 |
| Smiles: | C1CCC(CCNC(C2CCC(CC2)CN2C(c3c(ccs3)NC2=S)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.44 |
| logD: | 4.4394 |
| logSw: | -4.3135 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.975 |
| InChI Key: | IUKDLXLIFRLZFB-UHFFFAOYSA-N |