2-(diethylamino)ethyl 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
Chemical Structure Depiction of
2-(diethylamino)ethyl 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
2-(diethylamino)ethyl 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
Compound characteristics
| Compound ID: | D086-0354 |
| Compound Name: | 2-(diethylamino)ethyl 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C24 H27 N5 O3 |
| Smiles: | CCN(CC)CCOC(c1ccc(cc1)N1CC(C(=C1N)c1nc2ccccc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3458 |
| logD: | 2.3775 |
| logSw: | -3.425 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.449 |
| InChI Key: | NYYQFVGWAKWPGE-UHFFFAOYSA-N |