3-chloro-3-[(3-methoxyanilino)sulfanyl]-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-chloro-3-[(3-methoxyanilino)sulfanyl]-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
3-chloro-3-[(3-methoxyanilino)sulfanyl]-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | C301-0199 |
| Compound Name: | 3-chloro-3-[(3-methoxyanilino)sulfanyl]-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one |
| Molecular Weight: | 363.86 |
| Molecular Formula: | C18 H18 Cl N O3 S |
| Smiles: | CC1(C)C(C(c2ccccc2O1)=O)(SNc1cccc(c1)OC)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0623 |
| logD: | 5.0623 |
| logSw: | -5.1171 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.949 |
| InChI Key: | YJSNMBCYQQULAC-SFHVURJKSA-N |