2-(cyclopropylmethyl)-3-oxo-N-(2-phenylethyl)-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)-3-oxo-N-(2-phenylethyl)-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
2-(cyclopropylmethyl)-3-oxo-N-(2-phenylethyl)-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S636-1888 |
| Compound Name: | 2-(cyclopropylmethyl)-3-oxo-N-(2-phenylethyl)-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 355.44 |
| Molecular Formula: | C19 H25 N5 O2 |
| Smiles: | C1CN(CCN2C1=NN(CC1CC1)C2=O)C(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1955 |
| logD: | 2.1946 |
| logSw: | -2.5428 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.48 |
| InChI Key: | DTQNTXYRZSSHEV-UHFFFAOYSA-N |