4-chloro-2-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-3576 |
| Compound Name: | 4-chloro-2-{[N-(cyclopropylmethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 507.05 |
| Molecular Formula: | C25 H31 Cl N2 O5 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1CN(CC1CC1)C(CC(C)(C)C)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0571 |
| logD: | 5.057 |
| logSw: | -5.0983 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.555 |
| InChI Key: | PZOXSQYCRFMFBH-UHFFFAOYSA-N |