1-{3-[1-(4-tert-butylbenzene-1-sulfonyl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{3-[1-(4-tert-butylbenzene-1-sulfonyl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
1-{3-[1-(4-tert-butylbenzene-1-sulfonyl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | CM4221-2772 |
| Compound Name: | 1-{3-[1-(4-tert-butylbenzene-1-sulfonyl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C21 H29 N5 O3 S |
| Smiles: | CC(N1CCn2c(C1)nnc2C1CCCN1S(c1ccc(cc1)C(C)(C)C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1532 |
| logD: | 2.1532 |
| logSw: | -2.5368 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.608 |
| InChI Key: | OKSQSRZKEWLNRD-SFHVURJKSA-N |