1-(3-nitro-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(3-nitro-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}phenyl)ethan-1-one
1-(3-nitro-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | D036-1722 |
| Compound Name: | 1-(3-nitro-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}phenyl)ethan-1-one |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C20 H15 N5 O3 S |
| Smiles: | CC(c1ccc(c(c1)[N+]([O-])=O)Sc1nc2c(c3ccccc3n2CC=C)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3221 |
| logD: | 4.3221 |
| logSw: | -4.4734 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.864 |
| InChI Key: | WNWZJHJLBQVNFM-UHFFFAOYSA-N |