2-{[N-(cyclopropylmethyl)-3-fluorobenzamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
Chemical Structure Depiction of
2-{[N-(cyclopropylmethyl)-3-fluorobenzamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
2-{[N-(cyclopropylmethyl)-3-fluorobenzamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V007-5129 |
| Compound Name: | 2-{[N-(cyclopropylmethyl)-3-fluorobenzamido]methyl}-5-(diethylamino)phenyl ethanesulfonate |
| Molecular Weight: | 462.58 |
| Molecular Formula: | C24 H31 F N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC2CC2)C(c2cccc(c2)F)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3577 |
| logD: | 4.3481 |
| logSw: | -4.3933 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.633 |
| InChI Key: | AMQLBRCECTVNDE-UHFFFAOYSA-N |