(3S,5S)-5-{7-[(4-ethoxy-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-(propan-2-yl)pyrrolidin-3-ol
Chemical Structure Depiction of
(3S,5S)-5-{7-[(4-ethoxy-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-(propan-2-yl)pyrrolidin-3-ol
(3S,5S)-5-{7-[(4-ethoxy-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-(propan-2-yl)pyrrolidin-3-ol
Compound characteristics
| Compound ID: | S904-0030 |
| Compound Name: | (3S,5S)-5-{7-[(4-ethoxy-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-(propan-2-yl)pyrrolidin-3-ol |
| Molecular Weight: | 415.54 |
| Molecular Formula: | C22 H33 N5 O3 |
| Smiles: | CCOc1ccc(CN2CCn3c(C2)nnc3[C@@H]2C[C@@H](CN2C(C)C)O)cc1OC |
| Stereo: | ABSOLUTE |
| logP: | 1.1373 |
| logD: | 0.9711 |
| logSw: | -2.108 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.018 |
| InChI Key: | PYBDCOXZTDDLQL-MSOLQXFVSA-N |