methyl 4-(2-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}acetamido)benzoate
methyl 4-(2-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | K940-3774 |
| Compound Name: | methyl 4-(2-{4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}acetamido)benzoate |
| Molecular Weight: | 459.56 |
| Molecular Formula: | C23 H29 N3 O5 S |
| Smiles: | CC(C)c1ccc(cc1)S(N1CCN(CC1)CC(Nc1ccc(cc1)C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1805 |
| logD: | 4.1804 |
| logSw: | -4.0817 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.813 |
| InChI Key: | RMFMMTLHMBQBHA-UHFFFAOYSA-N |