N-(3-chloro-4-methoxyphenyl)-2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M142-0003 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{[8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 475.98 |
| Molecular Formula: | C19 H18 Cl N7 O2 S2 |
| Smiles: | COc1ccc(cc1[Cl])NC(CSc1nnc2c3c(ncn12)nc(N1CCCC1)s3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7169 |
| logD: | 3.7167 |
| logSw: | -3.89 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.524 |
| InChI Key: | XPPNRRUPLYIQAP-UHFFFAOYSA-N |