N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetamide
Compound characteristics
| Compound ID: | Y042-6833 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C27 H27 N3 O4 |
| Smiles: | CC(C)[C@@H](c1nc2ccccc2[nH]1)NC(CC1=C(C)c2cc3c(C)coc3c(C)c2OC1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.7108 |
| logD: | 4.71 |
| logSw: | -4.5268 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.48 |
| InChI Key: | ZCRMYBUQEKXKBZ-QHCPKHFHSA-N |