2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-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: | S636-5962 |
| Compound Name: | 2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C22 H23 N5 O4 |
| Smiles: | C1CN(CCN2C1=NN(Cc1ccccc1)C2=O)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7606 |
| logD: | 1.7606 |
| logSw: | -2.4184 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.616 |
| InChI Key: | UQEIVWQMDLDLJN-UHFFFAOYSA-N |