5-(diethylamino)-2-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl ethanesulfonate
5-(diethylamino)-2-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V027-9997 |
| Compound Name: | 5-(diethylamino)-2-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 465.59 |
| Molecular Formula: | C23 H32 F N3 O4 S |
| Salt: | not_available |
| Smiles: | CCNC(N(Cc1ccc(cc1)F)Cc1ccc(cc1OS(CC)(=O)=O)N(CC)CC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8259 |
| logD: | 3.8163 |
| logSw: | -3.8139 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.15 |
| InChI Key: | JIJDRWCOAXBEOB-UHFFFAOYSA-N |