2-{[(3-chlorophenyl)methyl]sulfanyl}-N-cyclohexyl-5-methyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-cyclohexyl-5-methyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-cyclohexyl-5-methyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | A0017037 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-cyclohexyl-5-methyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 552.16 |
| Molecular Formula: | C29 H30 Cl N3 O2 S2 |
| Smiles: | Cc1c2C(N(CCc3ccccc3)C(=Nc2sc1C(NC1CCCCC1)=O)SCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.1188 |
| logD: | 7.1188 |
| logSw: | -6.3153 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.79 |
| InChI Key: | JJJRBWMERJBXMV-UHFFFAOYSA-N |