N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-4-tert-butyl-N-[(oxolan-2-yl)methyl]benzamide
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)-4-tert-butyl-N-[(oxolan-2-yl)methyl]benzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-4-tert-butyl-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V002-3805 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-4-tert-butyl-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 645.15 |
| Molecular Formula: | C36 H37 Cl N2 O7 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(N(CC1CCCO1)CC(N(CC1=COc2ccc(cc2C1=O)[Cl])Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6128 |
| logD: | 5.6128 |
| logSw: | -5.8371 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.524 |
| InChI Key: | CMHJCBNMNRMIEW-MUUNZHRXSA-N |