4-chloro-2-{[N-di(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[N-di(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-{[N-di(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V005-4651 |
| Compound Name: | 4-chloro-2-{[N-di(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 482 |
| Molecular Formula: | C22 H28 Cl N3 O5 S |
| Smiles: | CC(C)NC(N(Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0766 |
| logD: | 4.0764 |
| logSw: | -4.4496 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.692 |
| InChI Key: | QJGCTCLZTPKVHB-UHFFFAOYSA-N |