ethyl 2-(2-{[4-amino-5-(5-chlorothiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{[4-amino-5-(5-chlorothiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
ethyl 2-(2-{[4-amino-5-(5-chlorothiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F409-0153 |
| Compound Name: | ethyl 2-(2-{[4-amino-5-(5-chlorothiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 513.01 |
| Molecular Formula: | C19 H17 Cl N4 O5 S3 |
| Smiles: | CCOC(c1ccccc1NC(CSc1ncc(c(N)n1)S(c1ccc(s1)[Cl])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3 |
| logD: | 3.287 |
| logSw: | -3.7873 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.203 |
| InChI Key: | JVMMTFRVHRSTLC-UHFFFAOYSA-N |