7-(1H-indole-5-carbonyl)-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-(1H-indole-5-carbonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(1H-indole-5-carbonyl)-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: | S636-0629 |
| Compound Name: | 7-(1H-indole-5-carbonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C16 H17 N5 O2 |
| Smiles: | CN1C(N2CCN(CCC2=N1)C(c1ccc2c(cc[nH]2)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7924 |
| logD: | 0.7924 |
| logSw: | -2.0167 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.704 |
| InChI Key: | WWFICSPQFUZQRN-UHFFFAOYSA-N |