4-[7-(4-ethylbenzene-1-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide
Chemical Structure Depiction of
4-[7-(4-ethylbenzene-1-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide
4-[7-(4-ethylbenzene-1-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide
Compound characteristics
| Compound ID: | S903-1562 |
| Compound Name: | 4-[7-(4-ethylbenzene-1-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C21 H30 N6 O3 S |
| Smiles: | CCc1ccc(cc1)S(N1CCn2c(C1)nnc2C1CCN(CC1)C(N(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9609 |
| logD: | 1.9144 |
| logSw: | -2.4966 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.19 |
| InChI Key: | AFJLMCYBTMFVDA-UHFFFAOYSA-N |