3-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazole-1-carbonyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazole-1-carbonyl]-2H-1-benzopyran-2-one
3-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazole-1-carbonyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | G680-0382 |
| Compound Name: | 3-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazole-1-carbonyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C24 H21 N3 O5 S |
| Smiles: | Cc1c(c(C)n(C(C2=Cc3ccccc3OC2=O)=O)n1)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4247 |
| logD: | 2.4247 |
| logSw: | -2.7318 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.147 |
| InChI Key: | DYBKXKPOARFTMJ-UHFFFAOYSA-N |