butyl 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
Chemical Structure Depiction of
butyl 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
butyl 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
Compound characteristics
| Compound ID: | D086-0402 |
| Compound Name: | butyl 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C22 H22 N4 O3 |
| Smiles: | CCCCOC(c1ccc(cc1)N1CC(C(=C1N)c1nc2ccccc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0117 |
| logD: | 4.0117 |
| logSw: | -4.2605 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.038 |
| InChI Key: | NKNYGGHPAMHMLF-UHFFFAOYSA-N |