2-{[8-(dimethylamino)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[8-(dimethylamino)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
2-{[8-(dimethylamino)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | M142-0240 |
| Compound Name: | 2-{[8-(dimethylamino)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C19 H19 N7 O2 S2 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSc1nnc2c3c(ncn12)nc(N(C)C)s3)=O |
| Stereo: | ACHIRAL |
| logP: | 2.621 |
| logD: | 2.621 |
| logSw: | -2.8794 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.739 |
| InChI Key: | LMBHPAVWQPPPRD-UHFFFAOYSA-N |