3-cyclohexyl-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-cyclohexyl-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-cyclohexyl-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-0964 |
| Compound Name: | 3-cyclohexyl-2-{[(3-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 401.5 |
| Molecular Formula: | C19 H19 N3 O3 S2 |
| Smiles: | C1CCC(CC1)N1C(=Nc2ccsc2C1=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.883 |
| logD: | 4.883 |
| logSw: | -4.8163 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.393 |
| InChI Key: | BBVMYVAWPFJANX-UHFFFAOYSA-N |