2-benzyl-N-(3-fluoro-4-methoxyphenyl)-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
2-benzyl-N-(3-fluoro-4-methoxyphenyl)-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
2-benzyl-N-(3-fluoro-4-methoxyphenyl)-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S636-6189 |
| Compound Name: | 2-benzyl-N-(3-fluoro-4-methoxyphenyl)-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 411.43 |
| Molecular Formula: | C21 H22 F N5 O3 |
| Smiles: | COc1ccc(cc1F)NC(N1CCC2=NN(Cc3ccccc3)C(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8788 |
| logD: | 2.8788 |
| logSw: | -3.4354 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.423 |
| InChI Key: | AXROYMDHSFXAIP-UHFFFAOYSA-N |