2-(cyclopropylmethyl)-7-[(1H-indol-4-yl)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
2-(cyclopropylmethyl)-7-[(1H-indol-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-[(1H-indol-4-yl)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: | S636-1782 |
| Compound Name: | 2-(cyclopropylmethyl)-7-[(1H-indol-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 337.42 |
| Molecular Formula: | C19 H23 N5 O |
| Smiles: | C1CN(CCN2C1=NN(CC1CC1)C2=O)Cc1cccc2c1cc[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.6668 |
| logD: | 1.9132 |
| logSw: | -2.7073 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.361 |
| InChI Key: | VFKMWAAVTGUSPS-UHFFFAOYSA-N |