1-{4-[6-ethyl-2-({[3-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[6-ethyl-2-({[3-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
1-{4-[6-ethyl-2-({[3-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V027-7552 |
| Compound Name: | 1-{4-[6-ethyl-2-({[3-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 453.61 |
| Molecular Formula: | C24 H31 N5 O2 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)C(N1CCCC1)=O)N1CCN(CC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6104 |
| logD: | 3.61 |
| logSw: | -3.6713 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.881 |
| InChI Key: | LQWYGMXXMDNTJU-UHFFFAOYSA-N |