2-(cyclopropylmethyl)-7-[(2-ethoxyphenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
2-(cyclopropylmethyl)-7-[(2-ethoxyphenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-[(2-ethoxyphenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1735 |
| Compound Name: | 2-(cyclopropylmethyl)-7-[(2-ethoxyphenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 342.44 |
| Molecular Formula: | C19 H26 N4 O2 |
| Smiles: | CCOc1ccccc1CN1CCC2=NN(CC3CC3)C(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.942 |
| logD: | 1.1212 |
| logSw: | -3.107 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.79 |
| InChI Key: | LFCRNFUFXUSFSE-UHFFFAOYSA-N |