2-(cyclopropylmethyl)-7-[(4-methylphenyl)acetyl]-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-[(4-methylphenyl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-[(4-methylphenyl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1538 |
| Compound Name: | 2-(cyclopropylmethyl)-7-[(4-methylphenyl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 340.42 |
| Molecular Formula: | C19 H24 N4 O2 |
| Smiles: | Cc1ccc(CC(N2CCC3=NN(CC4CC4)C(N3CC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4938 |
| logD: | 2.4929 |
| logSw: | -2.3285 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.968 |
| InChI Key: | AXFLWZGCKSZRHX-UHFFFAOYSA-N |