3,4,5-triethoxy-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
Chemical Structure Depiction of
3,4,5-triethoxy-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
3,4,5-triethoxy-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | E683-0451 |
| Compound Name: | 3,4,5-triethoxy-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C26 H32 N4 O4 |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(Nc1ccc(cc1)c1nnc2CCCCCn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1071 |
| logD: | 4.1068 |
| logSw: | -4.0627 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.071 |
| InChI Key: | JWDBHSBWJRTCQD-UHFFFAOYSA-N |