{3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
{3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V015-2399 |
| Compound Name: | {3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 527.73 |
| Molecular Formula: | C31 H37 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)C/C=C/c1ccccc1)SCc1cccc(c1)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7315 |
| logD: | 5.6665 |
| logSw: | -5.4342 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.756 |
| InChI Key: | WVQDWWGOGQXXLA-UHFFFAOYSA-N |