2-(3,4-dimethylbenzene-1-sulfonyl)-1-[4-(methylsulfanyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Chemical Structure Depiction of
2-(3,4-dimethylbenzene-1-sulfonyl)-1-[4-(methylsulfanyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
2-(3,4-dimethylbenzene-1-sulfonyl)-1-[4-(methylsulfanyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Compound characteristics
| Compound ID: | F762-0309 |
| Compound Name: | 2-(3,4-dimethylbenzene-1-sulfonyl)-1-[4-(methylsulfanyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole |
| Molecular Weight: | 462.63 |
| Molecular Formula: | C26 H26 N2 O2 S2 |
| Smiles: | [H]c1ccc2c(c1)c1CCN(C(c3ccc(cc3)SC)c1[nH]2)S(c1ccc(C)c(C)c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7439 |
| logD: | 6.7439 |
| logSw: | -6.0575 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.911 |
| InChI Key: | YKYHMBKKQRKUCS-AREMUKBSSA-N |