6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-8-[(4-methylpiperazin-1-yl)methyl]-2-(propan-2-yl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-8-[(4-methylpiperazin-1-yl)methyl]-2-(propan-2-yl)-4H-1-benzopyran-4-one
6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-8-[(4-methylpiperazin-1-yl)methyl]-2-(propan-2-yl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 6737-1000 |
| Compound Name: | 6-ethyl-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-8-[(4-methylpiperazin-1-yl)methyl]-2-(propan-2-yl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 474.6 |
| Molecular Formula: | C28 H34 N4 O3 |
| Smiles: | CCc1cc2C(C(=C(C(C)C)Oc2c(CN2CCN(C)CC2)c1O)c1nc2ccccc2n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6274 |
| logD: | 3.8284 |
| logSw: | -4.3056 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.661 |
| InChI Key: | CTAJQLLXYYETDN-UHFFFAOYSA-N |