ethyl 1-[5-({[4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[5-({[4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperidine-3-carboxylate
ethyl 1-[5-({[4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V024-6653 |
| Compound Name: | ethyl 1-[5-({[4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)furan-2-carbonyl]piperidine-3-carboxylate |
| Molecular Weight: | 593.75 |
| Molecular Formula: | C31 H39 N5 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc(CSc2nc(COC)cc(n2)N2CCN(CC2)Cc2ccccc2)o1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7586 |
| logD: | 4.6515 |
| logSw: | -4.4723 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.812 |
| InChI Key: | VJCCGOMAUMUQSA-DEOSSOPVSA-N |