ethyl N-[2-(cyclopropylmethyl)-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl]glycinate
Chemical Structure Depiction of
ethyl N-[2-(cyclopropylmethyl)-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl]glycinate
ethyl N-[2-(cyclopropylmethyl)-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl]glycinate
Compound characteristics
| Compound ID: | S636-6178 |
| Compound Name: | ethyl N-[2-(cyclopropylmethyl)-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl]glycinate |
| Molecular Weight: | 337.38 |
| Molecular Formula: | C15 H23 N5 O4 |
| Smiles: | CCOC(CNC(N1CCC2=NN(CC3CC3)C(N2CC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6004 |
| logD: | 0.5994 |
| logSw: | -1.4479 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.068 |
| InChI Key: | BMPRYLUIEUVDJO-UHFFFAOYSA-N |