N-[(4-chlorophenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-[(4-chlorophenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K292-1593 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 448 |
| Molecular Formula: | C21 H22 Cl N3 O2 S2 |
| Smiles: | C1CC(CCC1CN1C(c2c(ccs2)NC1=S)=O)C(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4907 |
| logD: | 4.4901 |
| logSw: | -4.707 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.942 |
| InChI Key: | FZZXEGYYHHQRBI-UHFFFAOYSA-N |