8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | G856-2753 |
| Compound Name: | 8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-(1-methyl-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C26 H31 N3 O3 |
| Smiles: | CC(C)CN(CC(C)C)Cc1c(ccc2C=C(C(=O)Oc12)c1nc2ccccc2n1C)O |
| Stereo: | ACHIRAL |
| logP: | 5.5321 |
| logD: | 5.0129 |
| logSw: | -5.3536 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.114 |
| InChI Key: | FHCOREAFQINNRA-UHFFFAOYSA-N |