2-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
2-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4755 |
| Compound Name: | 2-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C22 H27 F N2 O4 S |
| Smiles: | CC(C)(C)NC(N(CC1CC1)Cc1ccccc1OS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8765 |
| logD: | 4.8765 |
| logSw: | -4.5708 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.788 |
| InChI Key: | AALQZSTUCKLVBW-UHFFFAOYSA-N |