N-{4-[5-amino-4-(6-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-2,5-diethoxyphenyl}benzamide
Chemical Structure Depiction of
N-{4-[5-amino-4-(6-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-2,5-diethoxyphenyl}benzamide
N-{4-[5-amino-4-(6-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-2,5-diethoxyphenyl}benzamide
Compound characteristics
| Compound ID: | D086-0140 |
| Compound Name: | N-{4-[5-amino-4-(6-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-2,5-diethoxyphenyl}benzamide |
| Molecular Weight: | 511.58 |
| Molecular Formula: | C29 H29 N5 O4 |
| Smiles: | CCOc1cc(c(cc1NC(c1ccccc1)=O)OCC)N1CC(C(=C1N)c1nc2ccc(C)cc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5898 |
| logD: | 4.563 |
| logSw: | -4.4153 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 92.503 |
| InChI Key: | BTKSYQZQQFHQPV-UHFFFAOYSA-N |