ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-[(5-nitrofuran-2-carbonyl)amino]-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-[(5-nitrofuran-2-carbonyl)amino]-1H-pyrrole-2-carboxylate
ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-[(5-nitrofuran-2-carbonyl)amino]-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V012-0551 |
| Compound Name: | ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-[(5-nitrofuran-2-carbonyl)amino]-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 519.51 |
| Molecular Formula: | C27 H25 N3 O8 |
| Smiles: | CCOC(c1c(c(cn1Cc1ccccc1)c1ccc(c(c1)OC)OC)NC(c1ccc([N+]([O-])=O)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.724 |
| logD: | 2.8554 |
| logSw: | -3.8736 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.596 |
| InChI Key: | KRMQOLWLMGKOCT-UHFFFAOYSA-N |