methyl 2-(2-{[4-amino-5-(thiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}acetamido)-4-chlorobenzoate
Chemical Structure Depiction of
methyl 2-(2-{[4-amino-5-(thiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}acetamido)-4-chlorobenzoate
methyl 2-(2-{[4-amino-5-(thiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}acetamido)-4-chlorobenzoate
Compound characteristics
| Compound ID: | F409-0359 |
| Compound Name: | methyl 2-(2-{[4-amino-5-(thiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}acetamido)-4-chlorobenzoate |
| Molecular Weight: | 498.98 |
| Molecular Formula: | C18 H15 Cl N4 O5 S3 |
| Smiles: | COC(c1ccc(cc1NC(CSc1ncc(c(N)n1)S(c1cccs1)(=O)=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4757 |
| logD: | 1.9577 |
| logSw: | -3.4596 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.623 |
| InChI Key: | XRYQOIHBQPRJMY-UHFFFAOYSA-N |