4-chloro-2-({N-[(oxolan-2-yl)methyl](propan-2-yl)carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({N-[(oxolan-2-yl)methyl](propan-2-yl)carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-({N-[(oxolan-2-yl)methyl](propan-2-yl)carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-1001 |
| Compound Name: | 4-chloro-2-({N-[(oxolan-2-yl)methyl](propan-2-yl)carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 524.04 |
| Molecular Formula: | C24 H30 Cl N3 O6 S |
| Smiles: | CC(C)NC(N(CC1CCCO1)Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3385 |
| logD: | 3.3384 |
| logSw: | -3.8372 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.331 |
| InChI Key: | GMRYEVZJDBZNJP-OAQYLSRUSA-N |