3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-ethylbenzamide
Chemical Structure Depiction of
3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-ethylbenzamide
3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-ethylbenzamide
Compound characteristics
| Compound ID: | V004-0172 |
| Compound Name: | 3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-ethylbenzamide |
| Molecular Weight: | 501.69 |
| Molecular Formula: | C29 H35 N5 O S |
| Salt: | not_available |
| Smiles: | CCNC(c1cccc(CSc2nc(C)c(C)c(n2)N2CCN(CC2)C/C=C/c2ccccc2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.327 |
| logD: | 5.262 |
| logSw: | -5.2837 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.052 |
| InChI Key: | ZVYZQJZEKUMFJI-UHFFFAOYSA-N |