1-(1-acetyl-1H-indol-6-yl)-2-{[5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(1-acetyl-1H-indol-6-yl)-2-{[5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(1-acetyl-1H-indol-6-yl)-2-{[5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 6161-0061 |
| Compound Name: | 1-(1-acetyl-1H-indol-6-yl)-2-{[5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 461.5 |
| Molecular Formula: | C23 H19 N5 O4 S |
| Smiles: | CC(n1ccc2ccc(cc12)C(CSc1nnc(c2cccc(c2)[N+]([O-])=O)n1CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1609 |
| logD: | 4.1609 |
| logSw: | -4.3523 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.081 |
| InChI Key: | ZUBVNYYXTFBCBR-UHFFFAOYSA-N |