2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | F813-2903 |
| Compound Name: | 2-{[2-(azepan-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one |
| Molecular Weight: | 455.6 |
| Molecular Formula: | C22 H25 N5 O2 S2 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSc1c2c(ncn1)nc(N1CCCCCC1)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8667 |
| logD: | 4.8667 |
| logSw: | -4.6283 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.562 |
| InChI Key: | GDURNJHDYZSHPZ-UHFFFAOYSA-N |