4-bromo-N-(2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-bromo-N-(2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-bromo-N-(2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
Compound ID: | 8008-5801 |
Compound Name: | 4-bromo-N-(2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
Molecular Weight: | 504.47 |
Molecular Formula: | C22 H22 Br N3 O2 S2 |
Smiles: | C1CCC(CC1)NC(CSc1nc2ccc(cc2s1)NC(c1ccc(cc1)[Br])=O)=O |
Stereo: | ACHIRAL |
logP: | 5.8694 |
logD: | 5.8642 |
logSw: | -5.8521 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 56.336 |
InChI Key: | OYYCKSDUPUHKLU-UHFFFAOYSA-N |