7-[(cyclohex-1-en-1-yl)acetyl]-2-(cyclopropylmethyl)-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-[(cyclohex-1-en-1-yl)acetyl]-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(cyclohex-1-en-1-yl)acetyl]-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-5152 |
| Compound Name: | 7-[(cyclohex-1-en-1-yl)acetyl]-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 330.43 |
| Molecular Formula: | C18 H26 N4 O2 |
| Smiles: | C1CCC(CC(N2CCC3=NN(CC4CC4)C(N3CC2)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.2891 |
| logD: | 2.2882 |
| logSw: | -2.0061 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.16 |
| InChI Key: | OJZNJIPTBGPXPZ-UHFFFAOYSA-N |