2-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
2-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-7021 |
| Compound Name: | 2-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 521.05 |
| Molecular Formula: | C24 H25 Cl N2 O5 S2 |
| Smiles: | CCC(C)N(Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.055 |
| logD: | 5.0549 |
| logSw: | -5.076 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.906 |
| InChI Key: | ULGBAUBOTLTLRO-INIZCTEOSA-N |