1-(azepan-1-yl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(azepan-1-yl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | C592-0214 |
| Compound Name: | 1-(azepan-1-yl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C21 H27 N5 O2 S |
| Smiles: | COCCn1c(c2c[nH]c3ccccc23)nnc1SCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2918 |
| logD: | 3.2918 |
| logSw: | -3.4694 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.156 |
| InChI Key: | XIOKMGJFNUIKNS-UHFFFAOYSA-N |