3-({N-[2-(dimethylamino)ethyl](propan-2-yl)carbamamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-({N-[2-(dimethylamino)ethyl](propan-2-yl)carbamamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
3-({N-[2-(dimethylamino)ethyl](propan-2-yl)carbamamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-2535 |
| Compound Name: | 3-({N-[2-(dimethylamino)ethyl](propan-2-yl)carbamamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 467.56 |
| Molecular Formula: | C22 H30 F N3 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)NC(N(CCN(C)C)Cc1cccc(c1)OS(c1ccc(c(c1)F)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1257 |
| logD: | 0.425 |
| logSw: | -3.6467 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.074 |
| InChI Key: | SOZIDSOVSLFJRO-UHFFFAOYSA-N |