4-[7-(4-chlorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]butanamide
Chemical Structure Depiction of
4-[7-(4-chlorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]butanamide
4-[7-(4-chlorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]butanamide
Compound characteristics
| Compound ID: | G423-0136 |
| Compound Name: | 4-[7-(4-chlorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]butanamide |
| Molecular Weight: | 439.94 |
| Molecular Formula: | C23 H26 Cl N5 O2 |
| Smiles: | C1CCC(CCNC(CCCc2nnc3C(N(C=Cn23)c2ccc(cc2)[Cl])=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.6485 |
| logD: | 1.6485 |
| logSw: | -2.5923 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.602 |
| InChI Key: | SMBWBSACVPLMPD-UHFFFAOYSA-N |