1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-{[2-(3-methylpiperidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-{[2-(3-methylpiperidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}ethan-1-one
1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-{[2-(3-methylpiperidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | F813-4415 |
| Compound Name: | 1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-{[2-(3-methylpiperidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 455.6 |
| Molecular Formula: | C22 H25 N5 O2 S2 |
| Smiles: | CC1CCCN(C1)c1nc2c(c(ncn2)SCC(N2CCOc3ccc(C)cc23)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5987 |
| logD: | 4.5987 |
| logSw: | -4.4815 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.164 |
| InChI Key: | UMMVRUDASJRIHH-HNNXBMFYSA-N |