N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide
					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-3,3-dimethylbutanamide
			N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | V013-2564 | 
| 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-3,3-dimethylbutanamide | 
| Molecular Weight: | 555.07 | 
| Molecular Formula: | C30 H35 Cl N2 O6 | 
| Smiles: | CCCCN(CC(N(CC1=COc2ccc(cc2C1=O)[Cl])Cc1ccc2c(c1)OCO2)=O)C(CC(C)(C)C)=O | 
| Stereo: | ACHIRAL | 
| logP: | 5.6144 | 
| logD: | 5.6144 | 
| logSw: | -5.7555 | 
| Hydrogen bond acceptors count: | 9 | 
| Polar surface area: | 69.864 | 
| InChI Key: | AXFPNCDXSPCAMC-UHFFFAOYSA-N | 
 
				 
				