7-(5-methoxy-1H-indole-2-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
7-(5-methoxy-1H-indole-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(5-methoxy-1H-indole-2-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: | S636-0194 |
| Compound Name: | 7-(5-methoxy-1H-indole-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 327.34 |
| Molecular Formula: | C16 H17 N5 O3 |
| Smiles: | COc1ccc2c(c1)cc(C(N1CCC3=NNC(N3CC1)=O)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 1.6944 |
| logD: | 1.688 |
| logSw: | -2.4424 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.466 |
| InChI Key: | VYNJSYADVPDUGX-UHFFFAOYSA-N |