6-ethyl-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-ethyl-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-ethyl-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | L387-5009 |
| Compound Name: | 6-ethyl-5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C22 H25 N5 O3 S2 |
| Smiles: | CCN1C(=Nc2c(C1=O)sc(n2)N1CCCC1)SCC(N1CCOc2ccc(C)cc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0743 |
| logD: | 4.0743 |
| logSw: | -4.0735 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.99 |
| InChI Key: | GFEYDSSDHLHMRX-UHFFFAOYSA-N |