ethyl 3-[(2,1,3-benzoxadiazole-5-carbonyl)amino]-1-benzyl-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[(2,1,3-benzoxadiazole-5-carbonyl)amino]-1-benzyl-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate
ethyl 3-[(2,1,3-benzoxadiazole-5-carbonyl)amino]-1-benzyl-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V012-0798 |
| Compound Name: | ethyl 3-[(2,1,3-benzoxadiazole-5-carbonyl)amino]-1-benzyl-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 496.52 |
| Molecular Formula: | C28 H24 N4 O5 |
| Smiles: | CCOC(c1c(c(cn1Cc1ccccc1)c1ccc(cc1)OC)NC(c1ccc2c(c1)non2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9617 |
| logD: | 4.3967 |
| logSw: | -4.4529 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.538 |
| InChI Key: | HDCZXGULCRUXGZ-UHFFFAOYSA-N |