2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Chemical Structure Depiction of
2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | M447-0094 |
| Compound Name: | 2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one |
| Molecular Weight: | 451.51 |
| Molecular Formula: | C21 H21 N7 O3 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CN1C(N2C=Nc3c(C2=N1)sc(n3)N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7483 |
| logD: | 2.7381 |
| logSw: | -3.0523 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.91 |
| InChI Key: | COBMMDCLJDULDA-UHFFFAOYSA-N |