(3S,5S)-5-{7-[(2,3-dimethoxyphenyl)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-[(2,3-dimethoxyphenyl)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-[(2,3-dimethoxyphenyl)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: | S904-1500 |
| Compound Name: | (3S,5S)-5-{7-[(2,3-dimethoxyphenyl)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: | 401.51 |
| Molecular Formula: | C21 H31 N5 O3 |
| Smiles: | CC(C)N1C[C@H](C[C@H]1c1nnc2CN(CCn12)Cc1cccc(c1OC)OC)O |
| Stereo: | ABSOLUTE |
| logP: | 1.2444 |
| logD: | 1.0782 |
| logSw: | -1.8325 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.525 |
| InChI Key: | NXYWEIWWMDCTCO-SJORKVTESA-N |