4-{4-[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]-4-oxobutyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{4-[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]-4-oxobutyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
4-{4-[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]-4-oxobutyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | S565-1345 |
| Compound Name: | 4-{4-[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]-4-oxobutyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 463.54 |
| Molecular Formula: | C24 H29 N7 O3 |
| Smiles: | CCn1cnnc1c1c2CN(CCc2n(C)n1)C(CCCN1C(COc2ccc(C)cc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2066 |
| logD: | 0.19 |
| logSw: | -1.6757 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.2 |
| InChI Key: | GBFZEEJVBWSDPM-UHFFFAOYSA-N |