ethyl 4-{[(4-acetamidobenzene-1-sulfonyl)(benzyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(4-acetamidobenzene-1-sulfonyl)(benzyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{[(4-acetamidobenzene-1-sulfonyl)(benzyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G800-0219 |
| Compound Name: | ethyl 4-{[(4-acetamidobenzene-1-sulfonyl)(benzyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C25 H29 N3 O5 S |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccccc2)S(c2ccc(cc2)NC(C)=O)(=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8701 |
| logD: | 3.8698 |
| logSw: | -3.9599 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.339 |
| InChI Key: | VPUVJYWVCHSNMU-UHFFFAOYSA-N |