ethyl 5-{3-[(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)amino]-3-oxopropyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{3-[(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)amino]-3-oxopropyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-{3-[(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)amino]-3-oxopropyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G726-1358 |
| Compound Name: | ethyl 5-{3-[(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)amino]-3-oxopropyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C27 H31 N3 O3 |
| Smiles: | CCOC(c1c(C)c(CCC(Nc2ccc3CN(Cc4ccccc4)Cc3c2)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0908 |
| logD: | -0.6309 |
| logSw: | -4.2315 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.041 |
| InChI Key: | QVROVGCXYINECL-UHFFFAOYSA-N |