N-(4-chloro-2-nitrophenyl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-chloro-2-nitrophenyl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
N-(4-chloro-2-nitrophenyl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8008-3892 |
| Compound Name: | N-(4-chloro-2-nitrophenyl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 414.83 |
| Molecular Formula: | C17 H11 Cl N6 O3 S |
| Smiles: | C(C(Nc1ccc(cc1[N+]([O-])=O)[Cl])=O)Sc1nc2c(c3ccccc3[nH]2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.1125 |
| logD: | 2.6675 |
| logSw: | -3.6865 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.067 |
| InChI Key: | OQZIJFOCEALCCE-UHFFFAOYSA-N |