4-(4-{3-[4-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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: | S565-1496 |
| Compound Name: | 4-(4-{3-[4-(cyclopropylmethyl)-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: | 489.58 |
| Molecular Formula: | C26 H31 N7 O3 |
| Smiles: | Cc1ccc2c(c1)N(CCCC(N1CCc3c(C1)c(c1nncn1CC1CC1)nn3C)=O)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8155 |
| logD: | 0.8142 |
| logSw: | -1.708 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.727 |
| InChI Key: | SJFLHOPHDCVPKC-UHFFFAOYSA-N |