methyl 4-{[4-bromo-N-(butan-2-yl)benzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{[4-bromo-N-(butan-2-yl)benzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{[4-bromo-N-(butan-2-yl)benzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | M474-0144 |
| Compound Name: | methyl 4-{[4-bromo-N-(butan-2-yl)benzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 421.33 |
| Molecular Formula: | C20 H25 Br N2 O3 |
| Smiles: | CCC(C)N(Cc1c(C)c(C(=O)OC)[nH]c1C)C(c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8672 |
| logD: | 4.8672 |
| logSw: | -4.5958 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.933 |
| InChI Key: | NHILEIZLLZOYFW-LBPRGKRZSA-N |