N-(6-nitro-1,3-benzothiazol-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(6-nitro-1,3-benzothiazol-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-(6-nitro-1,3-benzothiazol-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 3698-0027 |
| Compound Name: | N-(6-nitro-1,3-benzothiazol-2-yl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 477.52 |
| Molecular Formula: | C21 H15 N7 O3 S2 |
| Smiles: | C=CCn1c2ccccc2c2c1nc(nn2)SCC(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.586 |
| logD: | 4.5859 |
| logSw: | -4.5256 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.249 |
| InChI Key: | VSHKTLHBGAVFQX-UHFFFAOYSA-N |