3,4-diethoxy-N-methyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide
Chemical Structure Depiction of
3,4-diethoxy-N-methyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide
3,4-diethoxy-N-methyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide
Compound characteristics
| Compound ID: | S637-3089 |
| Compound Name: | 3,4-diethoxy-N-methyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide |
| Molecular Weight: | 372.47 |
| Molecular Formula: | C20 H28 N4 O3 |
| Smiles: | CCOc1ccc(cc1OCC)C(N(C)C1CCc2nnc(C)n2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1184 |
| logD: | 1.1159 |
| logSw: | -2.0485 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.742 |
| InChI Key: | SZMMAJAOBPIYSS-INIZCTEOSA-N |