3-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-2774 |
| Compound Name: | 3-{[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)Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2331 |
| logD: | 4.2331 |
| logSw: | -4.2907 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.851 |
| InChI Key: | NDVRKCJKNCNWIT-UHFFFAOYSA-N |