ethyl 1-benzyl-3-[(2,3-dihydro-1,4-benzodioxine-2-carbonyl)amino]-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 1-benzyl-3-[(2,3-dihydro-1,4-benzodioxine-2-carbonyl)amino]-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate
ethyl 1-benzyl-3-[(2,3-dihydro-1,4-benzodioxine-2-carbonyl)amino]-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V012-0820 |
| Compound Name: | ethyl 1-benzyl-3-[(2,3-dihydro-1,4-benzodioxine-2-carbonyl)amino]-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 512.56 |
| Molecular Formula: | C30 H28 N2 O6 |
| Smiles: | CCOC(c1c(c(cn1Cc1ccccc1)c1ccc(cc1)OC)NC(C1COc2ccccc2O1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1225 |
| logD: | 4.9818 |
| logSw: | -4.9427 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.655 |
| InChI Key: | VRTGXCSQQJJCCB-SANMLTNESA-N |