1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | Y020-4980 |
| Compound Name: | 1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 312.39 |
| Molecular Formula: | C16 H16 N4 O S |
| Smiles: | C1CCc2c(C1)c1ccccc1n2C(CSc1nnc[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.967 |
| logD: | 1.6017 |
| logSw: | -2.3173 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.181 |
| InChI Key: | DELRTLMPNRZLPJ-UHFFFAOYSA-N |