N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-4-chloro-3-nitro-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-4-chloro-3-nitro-N-(prop-2-en-1-yl)benzamide
N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-4-chloro-3-nitro-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V002-3200 |
| Compound Name: | N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-4-chloro-3-nitro-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 560.01 |
| Molecular Formula: | C30 H26 Cl N3 O6 |
| Smiles: | Cc1ccc2c(c1)C(C(CN(Cc1ccccc1)C(CN(CC=C)C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O)=CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2566 |
| logD: | 4.2566 |
| logSw: | -4.5555 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.085 |
| InChI Key: | ZLNBGGWIFTUMGB-UHFFFAOYSA-N |