2-(2-methoxyethyl)-7-(1-phenylcyclopentane-1-carbonyl)-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-(2-methoxyethyl)-7-(1-phenylcyclopentane-1-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(2-methoxyethyl)-7-(1-phenylcyclopentane-1-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1067 |
| Compound Name: | 2-(2-methoxyethyl)-7-(1-phenylcyclopentane-1-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C21 H28 N4 O3 |
| Smiles: | COCCN1C(N2CCN(CCC2=N1)C(C1(CCCC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0632 |
| logD: | 2.0632 |
| logSw: | -2.0858 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.851 |
| InChI Key: | KSKDSWATWQGSIE-UHFFFAOYSA-N |