ethyl 4-({(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methylphenyl)methyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methylphenyl)methyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-({(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methylphenyl)methyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G799-0047 |
| Compound Name: | ethyl 4-({(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methylphenyl)methyl]carbamamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C27 H31 N3 O5 |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccc(C)cc2)C(Nc2ccc3c(c2)OCCO3)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0279 |
| logD: | 4.0279 |
| logSw: | -4.0253 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.557 |
| InChI Key: | ITOGKHWXSLIKTJ-UHFFFAOYSA-N |