methyl 4-{N-ethyl-N-[(propan-2-yl)carbamoyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{N-ethyl-N-[(propan-2-yl)carbamoyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{N-ethyl-N-[(propan-2-yl)carbamoyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-8050 |
| Compound Name: | methyl 4-{N-ethyl-N-[(propan-2-yl)carbamoyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 337.42 |
| Molecular Formula: | C17 H27 N3 O4 |
| Smiles: | CCN(C(C)C(c1c(C)c(C(=O)OC)[nH]c1C)=O)C(NC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3346 |
| logD: | 2.3346 |
| logSw: | -2.3347 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.821 |
| InChI Key: | BUBBVQYCLRNBLO-LBPRGKRZSA-N |