3-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-1-carbonyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-1-carbonyl]-2H-1-benzopyran-2-one
3-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-1-carbonyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | G680-0378 |
| Compound Name: | 3-[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazole-1-carbonyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C21 H23 N3 O5 S |
| Smiles: | Cc1c(c(C)n(C(C2=Cc3ccccc3OC2=O)=O)n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8817 |
| logD: | 1.8817 |
| logSw: | -2.4678 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.816 |
| InChI Key: | HVBYPWICNWGCTM-UHFFFAOYSA-N |