N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-butyl-3-fluorobenzamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-butyl-3-fluorobenzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-butyl-3-fluorobenzamide
Compound characteristics
| Compound ID: | V002-3197 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-butyl-3-fluorobenzamide |
| Molecular Weight: | 579.03 |
| Molecular Formula: | C31 H28 Cl F N2 O6 |
| Smiles: | CCCCN(CC(N(CC1=COc2ccc(cc2C1=O)[Cl])Cc1ccc2c(c1)OCO2)=O)C(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0881 |
| logD: | 5.0881 |
| logSw: | -5.2369 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.12 |
| InChI Key: | NKCVJSLVRFQNEL-UHFFFAOYSA-N |