2-{[4-amino-5-(5-bromothiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-amino-5-(5-bromothiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[4-amino-5-(5-bromothiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | F409-0336 |
| Compound Name: | 2-{[4-amino-5-(5-bromothiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 477.42 |
| Molecular Formula: | C15 H17 Br N4 O3 S3 |
| Smiles: | C1CCN(CC1)C(CSc1ncc(c(N)n1)S(c1ccc(s1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4415 |
| logD: | 2.4415 |
| logSw: | -2.5796 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.39 |
| InChI Key: | XULRMNIRSFIBAF-UHFFFAOYSA-N |