7-[4-(1H-indol-3-yl)butanoyl]-2-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
7-[4-(1H-indol-3-yl)butanoyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[4-(1H-indol-3-yl)butanoyl]-2-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: | S636-0586 |
| Compound Name: | 7-[4-(1H-indol-3-yl)butanoyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C19 H23 N5 O2 |
| Smiles: | CN1C(N2CCN(CCC2=N1)C(CCCc1c[nH]c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7442 |
| logD: | 1.7442 |
| logSw: | -1.9881 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.266 |
| InChI Key: | MECHZMWKAMHIGG-UHFFFAOYSA-N |