5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-6-(propan-2-yl)-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-6-(propan-2-yl)-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-6-(propan-2-yl)-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | L387-5243 |
| Compound Name: | 5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-6-(propan-2-yl)-2-(pyrrolidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 485.63 |
| Molecular Formula: | C23 H27 N5 O3 S2 |
| Smiles: | CC(C)N1C(=Nc2c(C1=O)sc(n2)N1CCCC1)SCC(N1CCOc2ccc(C)cc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4638 |
| logD: | 4.4638 |
| logSw: | -4.4187 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.986 |
| InChI Key: | OPSHKADIRCUOGL-UHFFFAOYSA-N |