methyl 4-[4-(benzenesulfonyl)-3-methylpiperazine-1-carbonyl]-2-phenyl-6-(propan-2-yl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-[4-(benzenesulfonyl)-3-methylpiperazine-1-carbonyl]-2-phenyl-6-(propan-2-yl)pyrimidine-5-carboxylate
methyl 4-[4-(benzenesulfonyl)-3-methylpiperazine-1-carbonyl]-2-phenyl-6-(propan-2-yl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V014-0671 |
| Compound Name: | methyl 4-[4-(benzenesulfonyl)-3-methylpiperazine-1-carbonyl]-2-phenyl-6-(propan-2-yl)pyrimidine-5-carboxylate |
| Molecular Weight: | 522.62 |
| Molecular Formula: | C27 H30 N4 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)c1c(C(=O)OC)c(C(N2CCN(C(C)C2)S(c2ccccc2)(=O)=O)=O)nc(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9562 |
| logD: | 4.9562 |
| logSw: | -4.7854 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.415 |
| InChI Key: | JDLGQSQOHHNNSZ-IBGZPJMESA-N |