N-(cyclopropylmethyl)-4-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide
Chemical Structure Depiction of
N-(cyclopropylmethyl)-4-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide
N-(cyclopropylmethyl)-4-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide
Compound characteristics
| Compound ID: | V027-0685 |
| Compound Name: | N-(cyclopropylmethyl)-4-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide |
| Molecular Weight: | 527.73 |
| Molecular Formula: | C31 H37 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)C/C=C/c1ccccc1)SCc1ccc(cc1)C(NCC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7265 |
| logD: | 5.6615 |
| logSw: | -5.5141 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.678 |
| InChI Key: | KZHGMEHVFVSAKF-UHFFFAOYSA-N |