5-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-1497 |
| Compound Name: | 5-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 516.63 |
| Molecular Formula: | C25 H28 N2 O6 S2 |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)OC)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.941 |
| logD: | 3.9409 |
| logSw: | -3.9698 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.537 |
| InChI Key: | JBTDZDJKOHPJNX-KRWDZBQOSA-N |