ethyl 2,4-dimethyl-5-[4-(2-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 2,4-dimethyl-5-[4-(2-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
ethyl 2,4-dimethyl-5-[4-(2-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F862-0116 |
| Compound Name: | ethyl 2,4-dimethyl-5-[4-(2-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C24 H39 N5 O4 |
| Smiles: | CCOC(c1c(C)c(C(N2CCC(CC2)CC(NCCN2CCN(C)CC2)=O)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7789 |
| logD: | 0.1114 |
| logSw: | -1.2301 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.122 |
| InChI Key: | XDLGWVZLGNVYTN-UHFFFAOYSA-N |