3-(azepane-1-carbonyl)-4-(4-methylphenyl)-1H-2-benzopyran-1-one
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-4-(4-methylphenyl)-1H-2-benzopyran-1-one
3-(azepane-1-carbonyl)-4-(4-methylphenyl)-1H-2-benzopyran-1-one
Compound characteristics
| Compound ID: | C378-0357 |
| Compound Name: | 3-(azepane-1-carbonyl)-4-(4-methylphenyl)-1H-2-benzopyran-1-one |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C23 H23 N O3 |
| Smiles: | Cc1ccc(cc1)C1=C(C(N2CCCCCC2)=O)OC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4558 |
| logD: | 4.4558 |
| logSw: | -4.3895 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.947 |
| InChI Key: | QAJAKBLGEQSQGC-UHFFFAOYSA-N |