2-{[(3-bromophenyl)methyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(3-bromophenyl)methyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
2-{[(3-bromophenyl)methyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | D365-0286 |
| Compound Name: | 2-{[(3-bromophenyl)methyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one |
| Molecular Weight: | 337.24 |
| Molecular Formula: | C14 H13 Br N2 O S |
| Smiles: | C1CC2=C(C1)N=C(NC2=O)SCc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.9605 |
| logD: | 2.8196 |
| logSw: | -3.4364 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.838 |
| InChI Key: | BNGSICIRNOEPGS-UHFFFAOYSA-N |