2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-9589 |
| Compound Name: | 2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 510.05 |
| Molecular Formula: | C24 H32 Cl N3 O5 S |
| Smiles: | CCC(C)N(Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])C(NC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.954 |
| logD: | 4.9538 |
| logSw: | -4.8594 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.126 |
| InChI Key: | VXDSZRHUHVPGCJ-INIZCTEOSA-N |