4-chloro-2-[(N-cyclopropyl-2-fluorobenzamido)methyl]phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-[(N-cyclopropyl-2-fluorobenzamido)methyl]phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-[(N-cyclopropyl-2-fluorobenzamido)methyl]phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V011-8297 |
| Compound Name: | 4-chloro-2-[(N-cyclopropyl-2-fluorobenzamido)methyl]phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 516.97 |
| Molecular Formula: | C25 H22 Cl F N2 O5 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1CN(C1CC1)C(c1ccccc1F)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5731 |
| logD: | 4.573 |
| logSw: | -4.7528 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.864 |
| InChI Key: | UBQAYQQEKUVUEA-UHFFFAOYSA-N |