4-chloro-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-nitro-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
4-chloro-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-nitro-N-(prop-2-en-1-yl)benzamide
4-chloro-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-nitro-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V001-6478 |
| Compound Name: | 4-chloro-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-nitro-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 572.08 |
| Molecular Formula: | C28 H30 Cl N3 O6 S |
| Smiles: | Cc1ccsc1CN(CCc1ccc(c(c1)OC)OC)C(CN(CC=C)C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.294 |
| logD: | 4.294 |
| logSw: | -4.6243 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.45 |
| InChI Key: | UHCZBHWLXKZRPR-UHFFFAOYSA-N |