2-chloro-4-nitro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
Chemical Structure Depiction of
2-chloro-4-nitro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
2-chloro-4-nitro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | C066-4132 |
| Compound Name: | 2-chloro-4-nitro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide |
| Molecular Weight: | 411.85 |
| Molecular Formula: | C20 H18 Cl N5 O3 |
| Smiles: | C1CCc2nnc(c3ccc(cc3)NC(c3ccc(cc3[Cl])[N+]([O-])=O)=O)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.8435 |
| logD: | 3.8428 |
| logSw: | -4.6864 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.735 |
| InChI Key: | IERNFOKJJGLVNE-UHFFFAOYSA-N |