5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-2-(piperidin-1-yl)-6-(prop-2-en-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}-2-(piperidin-1-yl)-6-(prop-2-en-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}-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | L387-6296 |
| Compound Name: | 5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 497.64 |
| Molecular Formula: | C24 H27 N5 O3 S2 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSC1=Nc2c(C(N1CC=C)=O)sc(n2)N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5635 |
| logD: | 4.5635 |
| logSw: | -4.4174 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.878 |
| InChI Key: | ADPSWNRLSFDTCA-UHFFFAOYSA-N |