1-(3-nitro-4-{[5-(propan-2-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-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}phenyl)ethan-1-one
1-(3-nitro-4-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8016-5906 |
| Compound Name: | 1-(3-nitro-4-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}phenyl)ethan-1-one |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C20 H17 N5 O3 S |
| Smiles: | CC(C)n1c2ccccc2c2c1nc(nn2)Sc1ccc(cc1[N+]([O-])=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2317 |
| logD: | 4.2317 |
| logSw: | -4.4239 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.961 |
| InChI Key: | GNKXBLAXENRKJS-UHFFFAOYSA-N |