3-[(tert-butyl-N-cyclopropylcarbamamido)methyl]phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-[(tert-butyl-N-cyclopropylcarbamamido)methyl]phenyl 4-fluorobenzene-1-sulfonate
3-[(tert-butyl-N-cyclopropylcarbamamido)methyl]phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V001-0181 |
| Compound Name: | 3-[(tert-butyl-N-cyclopropylcarbamamido)methyl]phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 420.5 |
| Molecular Formula: | C21 H25 F N2 O4 S |
| Smiles: | CC(C)(C)NC(N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3727 |
| logD: | 4.3725 |
| logSw: | -4.3571 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.753 |
| InChI Key: | CQRSWQIYLYPJHZ-UHFFFAOYSA-N |