ethyl 4-(2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | M142-0016 |
| Compound Name: | ethyl 4-(2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 483.57 |
| Molecular Formula: | C21 H21 N7 O3 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc2c3c(ncn12)nc(N1CCCC1)s3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8077 |
| logD: | 3.8076 |
| logSw: | -3.8103 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.648 |
| InChI Key: | YFGAFOYASZNVQX-UHFFFAOYSA-N |