3-(anilinosulfanyl)-3-chloro-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(anilinosulfanyl)-3-chloro-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
3-(anilinosulfanyl)-3-chloro-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | C301-0197 |
| Compound Name: | 3-(anilinosulfanyl)-3-chloro-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one |
| Molecular Weight: | 333.83 |
| Molecular Formula: | C17 H16 Cl N O2 S |
| Smiles: | CC1(C)C(C(c2ccccc2O1)=O)(SNc1ccccc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8372 |
| logD: | 4.8372 |
| logSw: | -4.9209 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.405 |
| InChI Key: | ZQVUKCJMIUJAHT-KRWDZBQOSA-N |