5-(diethylamino)-2-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl methanesulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl methanesulfonate
5-(diethylamino)-2-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl methanesulfonate
Compound characteristics
| Compound ID: | V025-4559 |
| Compound Name: | 5-(diethylamino)-2-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl methanesulfonate |
| Molecular Weight: | 451.56 |
| Molecular Formula: | C22 H30 F N3 O4 S |
| Salt: | not_available |
| Smiles: | CCNC(N(Cc1ccc(cc1)F)Cc1ccc(cc1OS(C)(=O)=O)N(CC)CC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4622 |
| logD: | 3.4526 |
| logSw: | -3.7146 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.19 |
| InChI Key: | MQWIELLYBYRERP-UHFFFAOYSA-N |