ethyl 4-[4-({[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-({[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazine-1-carboxylate
ethyl 4-[4-({[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | V017-7290 |
| Compound Name: | ethyl 4-[4-({[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazine-1-carboxylate |
| Molecular Weight: | 519.07 |
| Molecular Formula: | C24 H31 Cl N6 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc(CSc2nc(cc(n2)[Cl])N2CCN(C)CC2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1424 |
| logD: | 2.5724 |
| logSw: | -3.499 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.948 |
| InChI Key: | QTVFDTIDYDOIRN-UHFFFAOYSA-N |