2-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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: | S636-1887 |
| Compound Name: | 2-(cyclopropylmethyl)-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: | 385.42 |
| Molecular Formula: | C19 H23 N5 O4 |
| Smiles: | C1CN(CCN2C1=NN(CC1CC1)C2=O)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.124 |
| logD: | 1.1231 |
| logSw: | -2.055 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.139 |
| InChI Key: | WSDROUJLFQUGFH-UHFFFAOYSA-N |