4-chloro-2-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-1428 |
| Compound Name: | 4-chloro-2-({N-[(4-fluorophenyl)methyl](propan-2-yl)carbamamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 548.03 |
| Molecular Formula: | C26 H27 Cl F N3 O5 S |
| Smiles: | CC(C)NC(N(Cc1ccc(cc1)F)Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6478 |
| logD: | 4.6477 |
| logSw: | -4.7657 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.677 |
| InChI Key: | OAQKXMPVLBWSAR-UHFFFAOYSA-N |