{3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(5-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
{3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(5-methylthiophen-2-yl)methanone
{3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(5-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S904-5322 |
| Compound Name: | {3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(5-methylthiophen-2-yl)methanone |
| Molecular Weight: | 423.54 |
| Molecular Formula: | C22 H25 N5 O2 S |
| Smiles: | Cc1ccc(C(N2CCn3c(C2)nnc3[C@@H]2C[C@@H](CN2Cc2ccccc2)O)=O)s1 |
| Stereo: | ABSOLUTE |
| logP: | 2.0557 |
| logD: | 2.0507 |
| logSw: | -2.3501 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.953 |
| InChI Key: | HBVNFRPVKIQSBI-MSOLQXFVSA-N |