2-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
2-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-1511 |
| Compound Name: | 2-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-4-chlorophenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 538.06 |
| Molecular Formula: | C25 H32 Cl N3 O6 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1CN(CC1CCCO1)C(NC(C)(C)C)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7863 |
| logD: | 3.7862 |
| logSw: | -4.2347 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.181 |
| InChI Key: | YTLHXUHPHKNHPW-OAQYLSRUSA-N |