N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-4-methyl-3-nitro-N-(prop-2-en-1-yl)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-methyl-3-nitro-N-(prop-2-en-1-yl)benzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(6-chloro-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-4-methyl-3-nitro-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V002-3233 |
| 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-methyl-3-nitro-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 604.02 |
| Molecular Formula: | C31 H26 Cl N3 O8 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N(CC=C)CC(N(CC1=COc2ccc(cc2C1=O)[Cl])Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5352 |
| logD: | 4.5352 |
| logSw: | -4.6981 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 103.201 |
| InChI Key: | MHQSRZZGCFOHPX-UHFFFAOYSA-N |