N-(4-chloro-2-nitrophenyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-chloro-2-nitrophenyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
N-(4-chloro-2-nitrophenyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8008-2186 |
| Compound Name: | N-(4-chloro-2-nitrophenyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 428.85 |
| Molecular Formula: | C18 H13 Cl N6 O3 S |
| Smiles: | Cn1c2ccccc2c2c1nc(nn2)SCC(Nc1ccc(cc1[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4146 |
| logD: | 2.9696 |
| logSw: | -4.0289 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.321 |
| InChI Key: | ZBVWPGMHOSEMOT-UHFFFAOYSA-N |