7-[(1H-indol-6-yl)methyl]-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-indol-6-yl)methyl]-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-indol-6-yl)methyl]-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: | S636-1321 |
| Compound Name: | 7-[(1H-indol-6-yl)methyl]-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: | 341.41 |
| Molecular Formula: | C18 H23 N5 O2 |
| Smiles: | COCCN1C(N2CCN(CCC2=N1)Cc1ccc2cc[nH]c2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6495 |
| logD: | 0.6637 |
| logSw: | -2.5099 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.43 |
| InChI Key: | FNSJJTUBWQBHPT-UHFFFAOYSA-N |