N-{2-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl}-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Chemical Structure Depiction of
N-{2-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl}-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
N-{2-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl}-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Compound characteristics
| Compound ID: | S565-1376 |
| Compound Name: | N-{2-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl}-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| Molecular Weight: | 514.56 |
| Molecular Formula: | C22 H26 N8 O5 S |
| Smiles: | CCn1cnnc1c1c2CN(CCc2n(C)n1)C(CN(C)S(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.5573 |
| logD: | -0.5739 |
| logSw: | -2.1504 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 110.822 |
| InChI Key: | XEGLFYMDGPYVHL-UHFFFAOYSA-N |