4-({[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-propylbenzamide
Chemical Structure Depiction of
4-({[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-propylbenzamide
4-({[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-propylbenzamide
Compound characteristics
| Compound ID: | V018-8530 |
| Compound Name: | 4-({[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-propylbenzamide |
| Molecular Weight: | 419.98 |
| Molecular Formula: | C20 H26 Cl N5 O S |
| Salt: | not_available |
| Smiles: | CCCNC(c1ccc(CSc2nc(cc(n2)[Cl])N2CCN(C)CC2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4152 |
| logD: | 2.8453 |
| logSw: | -4.024 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.046 |
| InChI Key: | UKOPMNMERNNYNS-UHFFFAOYSA-N |