ethyl 4-[N-(2-methoxyethyl)-N-(3-nitrobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-(2-methoxyethyl)-N-(3-nitrobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[N-(2-methoxyethyl)-N-(3-nitrobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V014-9532 |
| Compound Name: | ethyl 4-[N-(2-methoxyethyl)-N-(3-nitrobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 445.47 |
| Molecular Formula: | C22 H27 N3 O7 |
| Smiles: | CCOC(c1c(C)c(C(C(C)N(CCOC)C(c2cccc(c2)[N+]([O-])=O)=O)=O)c(C)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7573 |
| logD: | 2.7573 |
| logSw: | -3.088 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.99 |
| InChI Key: | SEAMSICDSRWVMR-HNNXBMFYSA-N |