ethyl 3-(2-{[8-(dimethylamino)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 3-(2-{[8-(dimethylamino)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamido)benzoate
ethyl 3-(2-{[8-(dimethylamino)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | M142-0168 |
| Compound Name: | ethyl 3-(2-{[8-(dimethylamino)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C19 H19 N7 O3 S2 |
| Smiles: | CCOC(c1cccc(c1)NC(CSc1nnc2c3c(ncn12)nc(N(C)C)s3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1551 |
| logD: | 3.1551 |
| logSw: | -3.3224 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.634 |
| InChI Key: | POMHEGGJPVZDPP-UHFFFAOYSA-N |