7-(1H-indole-4-carbonyl)-2-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-(1H-indole-4-carbonyl)-2-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(1H-indole-4-carbonyl)-2-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1151 |
| Compound Name: | 7-(1H-indole-4-carbonyl)-2-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C18 H21 N5 O3 |
| Smiles: | COCCN1C(N2CCN(CCC2=N1)C(c1cccc2c1cc[nH]2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.935 |
| logD: | 0.935 |
| logSw: | -2.1398 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.345 |
| InChI Key: | QJJKCYDIHQAZGN-UHFFFAOYSA-N |