3,4,5-trimethoxy-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-trimethoxy-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
3,4,5-trimethoxy-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | 8013-3166 |
| Compound Name: | 3,4,5-trimethoxy-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C23 H26 N4 O4 |
| Smiles: | COc1cc(cc(c1OC)OC)C(Nc1ccc(cc1)c1nnc2CCCCCn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1483 |
| logD: | 3.148 |
| logSw: | -3.5488 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.332 |
| InChI Key: | BQIWTMHCHWWWTR-UHFFFAOYSA-N |