(3R,5S)-1-benzyl-5-{7-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol
Chemical Structure Depiction of
(3R,5S)-1-benzyl-5-{7-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol
(3R,5S)-1-benzyl-5-{7-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol
Compound characteristics
| Compound ID: | S625-0586 |
| Compound Name: | (3R,5S)-1-benzyl-5-{7-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol |
| Molecular Weight: | 419.53 |
| Molecular Formula: | C24 H29 N5 O2 |
| Smiles: | COc1cccc(CN2CCn3c(C2)nnc3[C@@H]2C[C@H](CN2Cc2ccccc2)O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 1.859 |
| logD: | 1.8311 |
| logSw: | -2.0136 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.563 |
| InChI Key: | ZFSFCFMBZIPSOT-UNMCSNQZSA-N |