N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-nitro-N-propylbenzamide
Chemical Structure Depiction of
N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-nitro-N-propylbenzamide
N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-nitro-N-propylbenzamide
Compound characteristics
| Compound ID: | V012-8702 |
| Compound Name: | N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-nitro-N-propylbenzamide |
| Molecular Weight: | 539.65 |
| Molecular Formula: | C28 H33 N3 O6 S |
| Smiles: | CCCN(CC(N(CCc1ccc(c(c1)OC)OC)Cc1ccc(C)s1)=O)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4429 |
| logD: | 4.4429 |
| logSw: | -4.384 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.751 |
| InChI Key: | VCCPQCFAXZZOPW-UHFFFAOYSA-N |