3-methyl-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
3-methyl-4-nitro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
3-methyl-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: | E683-0392 |
| Compound Name: | 3-methyl-4-nitro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C21 H21 N5 O3 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1ccc(cc1)c1nnc2CCCCCn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7858 |
| logD: | 3.7853 |
| logSw: | -3.9883 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.434 |
| InChI Key: | QMLOYBPMWLOBKY-UHFFFAOYSA-N |