N-[4-(4-nitroanilino)-1,3-thiazol-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-[4-(4-nitroanilino)-1,3-thiazol-2-yl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-[4-(4-nitroanilino)-1,3-thiazol-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: | 3698-0029 |
| Compound Name: | N-[4-(4-nitroanilino)-1,3-thiazol-2-yl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 518.57 |
| Molecular Formula: | C23 H18 N8 O3 S2 |
| Smiles: | C=CCn1c2ccccc2c2c1nc(nn2)SCC(Nc1nc(cs1)Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1626 |
| logD: | 5.1625 |
| logSw: | -5.519 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.013 |
| InChI Key: | ZVHMJMWWNMSSOV-UHFFFAOYSA-N |