4-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile
4-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | D365-0283 |
| Compound Name: | 4-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 283.35 |
| Molecular Formula: | C15 H13 N3 O S |
| Smiles: | C1CC2=C(C1)N=C(NC2=O)SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.6264 |
| logD: | 1.4855 |
| logSw: | -2.4 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.894 |
| InChI Key: | GXDZWILKNCWHQE-UHFFFAOYSA-N |