3-cyclopentyl-1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}propan-1-one
Chemical Structure Depiction of
3-cyclopentyl-1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}propan-1-one
3-cyclopentyl-1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}propan-1-one
Compound characteristics
| Compound ID: | G811-0522 |
| Compound Name: | 3-cyclopentyl-1-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}propan-1-one |
| Molecular Weight: | 418.6 |
| Molecular Formula: | C26 H30 N2 O S |
| Smiles: | CSc1ccc(cc1)C1c2c(CCN1C(CCC1CCCC1)=O)c1ccccc1[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3016 |
| logD: | 6.3016 |
| logSw: | -5.8441 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.1023 |
| InChI Key: | AKUUDINQUINVAS-AREMUKBSSA-N |