5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-phenyl-6-propyl[1,2]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}-3-phenyl-6-propyl[1,2]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-phenyl-6-propyl[1,2]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | M109-0189 |
| Compound Name: | 5-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-phenyl-6-propyl[1,2]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 492.62 |
| Molecular Formula: | C25 H24 N4 O3 S2 |
| Smiles: | CCCN1C(=Nc2c(c3ccccc3)nsc2C1=O)SCC(N1CCOc2ccc(C)cc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7642 |
| logD: | 4.7642 |
| logSw: | -4.5531 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.768 |
| InChI Key: | IBYUAIDBOCVZIB-UHFFFAOYSA-N |