1-{4-[6-phenyl-2-({[3-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[6-phenyl-2-({[3-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
1-{4-[6-phenyl-2-({[3-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V026-3766 |
| Compound Name: | 1-{4-[6-phenyl-2-({[3-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 501.65 |
| Molecular Formula: | C28 H31 N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)c1cc(c2ccccc2)nc(n1)SCc1cccc(c1)C(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7577 |
| logD: | 4.7574 |
| logSw: | -4.602 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.114 |
| InChI Key: | HEWHCCLZCBRFDC-UHFFFAOYSA-N |