2-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
2-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4779 |
| Compound Name: | 2-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 420.5 |
| Molecular Formula: | C21 H25 F N2 O4 S |
| Smiles: | CC(C)NC(N(CC1CC1)Cc1ccccc1OS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4287 |
| logD: | 4.4287 |
| logSw: | -4.2711 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.938 |
| InChI Key: | OKVAZELDUXIXST-UHFFFAOYSA-N |