(2H-1,3-benzodioxol-5-yl){1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl){1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}methanone
(2H-1,3-benzodioxol-5-yl){1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}methanone
Compound characteristics
| Compound ID: | G811-0539 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}methanone |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C26 H22 N2 O3 S |
| Smiles: | CSc1ccc(cc1)C1c2c(CCN1C(c1ccc3c(c1)OCO3)=O)c1ccccc1[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6343 |
| logD: | 5.6343 |
| logSw: | -5.8783 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.187 |
| InChI Key: | TXOBJJPYXLSJNO-RUZDIDTESA-N |