2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,3,4,5,6,7,8-octahydro-9H-carbazol-9-yl)ethan-1-one
Chemical Structure Depiction of
2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,3,4,5,6,7,8-octahydro-9H-carbazol-9-yl)ethan-1-one
2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,3,4,5,6,7,8-octahydro-9H-carbazol-9-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-8497 |
| Compound Name: | 2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,3,4,5,6,7,8-octahydro-9H-carbazol-9-yl)ethan-1-one |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C25 H28 N4 O4 S |
| Smiles: | Cn1c(COc2ccc3c(c2)OCO3)nnc1SCC(n1c2CCCCc2c2CCCCc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6394 |
| logD: | 3.6394 |
| logSw: | -3.9486 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.833 |
| InChI Key: | DWIFLESKCPBYSH-UHFFFAOYSA-N |