2-{7-[(3-chlorophenyl)methyl]-3,8-dioxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-{7-[(3-chlorophenyl)methyl]-3,8-dioxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
2-{7-[(3-chlorophenyl)methyl]-3,8-dioxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | S448-0529 |
| Compound Name: | 2-{7-[(3-chlorophenyl)methyl]-3,8-dioxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide |
| Molecular Weight: | 443.93 |
| Molecular Formula: | C22 H26 Cl N5 O3 |
| Smiles: | C1CCC(CCNC(CN2C(N3CCN(Cc4cccc(c4)[Cl])C(C3=N2)=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.564 |
| logD: | 2.564 |
| logSw: | -3.4704 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.137 |
| InChI Key: | FJMXCUQHLGQPBZ-UHFFFAOYSA-N |