2-{[4-amino-5-(thiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}-1-(3-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-amino-5-(thiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}-1-(3-methylpiperidin-1-yl)ethan-1-one
2-{[4-amino-5-(thiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}-1-(3-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
Compound ID: | F409-0363 |
Compound Name: | 2-{[4-amino-5-(thiophene-2-sulfonyl)pyrimidin-2-yl]sulfanyl}-1-(3-methylpiperidin-1-yl)ethan-1-one |
Molecular Weight: | 412.55 |
Molecular Formula: | C16 H20 N4 O3 S3 |
Smiles: | CC1CCCN(C1)C(CSc1ncc(c(N)n1)S(c1cccs1)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.886 |
logD: | 1.886 |
logSw: | -2.3437 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 85.324 |
InChI Key: | IJDFIJYSTRLBBB-NSHDSACASA-N |