N-butyl-4-({[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-butyl-4-({[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
N-butyl-4-({[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V009-9150 |
| Compound Name: | N-butyl-4-({[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 434 |
| Molecular Formula: | C21 H28 Cl N5 O S |
| Salt: | not_available |
| Smiles: | CCCCNC(c1ccc(CSc2nc(cc(n2)[Cl])N2CCN(C)CC2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.002 |
| logD: | 3.432 |
| logSw: | -4.3777 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.046 |
| InChI Key: | WVSLQWQBCKMYHI-UHFFFAOYSA-N |