3-chloro-2,2-dimethyl-3-[(3,4,5-trimethoxyanilino)sulfanyl]-2,3-dihydro-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-chloro-2,2-dimethyl-3-[(3,4,5-trimethoxyanilino)sulfanyl]-2,3-dihydro-4H-1-benzopyran-4-one
3-chloro-2,2-dimethyl-3-[(3,4,5-trimethoxyanilino)sulfanyl]-2,3-dihydro-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | C301-0200 |
| Compound Name: | 3-chloro-2,2-dimethyl-3-[(3,4,5-trimethoxyanilino)sulfanyl]-2,3-dihydro-4H-1-benzopyran-4-one |
| Molecular Weight: | 423.91 |
| Molecular Formula: | C20 H22 Cl N O5 S |
| Smiles: | CC1(C)C(C(c2ccccc2O1)=O)(SNc1cc(c(c(c1)OC)OC)OC)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.237 |
| logD: | 4.237 |
| logSw: | -4.5771 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.383 |
| InChI Key: | LIPFACNYCYLAJF-FQEVSTJZSA-N |