N-(2-{[(4-fluorophenyl)methyl][(furan-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-N-[3-(morpholin-4-yl)propyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{[(4-fluorophenyl)methyl][(furan-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-N-[3-(morpholin-4-yl)propyl]-3-nitrobenzamide
N-(2-{[(4-fluorophenyl)methyl][(furan-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-N-[3-(morpholin-4-yl)propyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | V004-0447 |
| Compound Name: | N-(2-{[(4-fluorophenyl)methyl][(furan-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-N-[3-(morpholin-4-yl)propyl]-3-nitrobenzamide |
| Molecular Weight: | 552.6 |
| Molecular Formula: | C29 H33 F N4 O6 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N(CCCN1CCOCC1)CC(N(Cc1ccc(cc1)F)Cc1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0468 |
| logD: | 2.8829 |
| logSw: | -3.2243 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.56 |
| InChI Key: | RSIYSTLDOCNCRB-UHFFFAOYSA-N |