2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | D365-0164 |
| Compound Name: | 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one |
| Molecular Weight: | 314.45 |
| Molecular Formula: | C18 H22 N2 O S |
| Smiles: | CC(C)(C)c1ccc(CSC2NC(C3CCCC=3N=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7664 |
| logD: | 3.6255 |
| logSw: | -3.832 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.838 |
| InChI Key: | IJLPBGMOAHRDBU-UHFFFAOYSA-N |