N-(3-methoxypropyl)-2-methyl-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
N-(3-methoxypropyl)-2-methyl-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
N-(3-methoxypropyl)-2-methyl-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: | S636-0945 |
| Compound Name: | N-(3-methoxypropyl)-2-methyl-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 283.33 |
| Molecular Formula: | C12 H21 N5 O3 |
| Smiles: | CN1C(N2CCN(CCC2=N1)C(NCCCOC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0156 |
| logD: | 0.0156 |
| logSw: | -0.3123 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.521 |
| InChI Key: | DSPBTAFJKVWLBB-UHFFFAOYSA-N |