2-benzyl-7-[(cyclohex-1-en-1-yl)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-benzyl-7-[(cyclohex-1-en-1-yl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-7-[(cyclohex-1-en-1-yl)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: | S636-5371 |
| Compound Name: | 2-benzyl-7-[(cyclohex-1-en-1-yl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C21 H26 N4 O2 |
| Smiles: | C1CCC(CC(N2CCC3=NN(Cc4ccccc4)C(N3CC2)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.9257 |
| logD: | 2.9257 |
| logSw: | -3.0885 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.637 |
| InChI Key: | HDXVJABRERKGNN-UHFFFAOYSA-N |