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 |