ethyl 3-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 3-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]benzoate
ethyl 3-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | Y205-4547 |
| Compound Name: | ethyl 3-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]benzoate |
| Molecular Weight: | 404.83 |
| Molecular Formula: | C18 H13 Cl N2 O5 S |
| Smiles: | CCOC(c1cccc(c1)NC(c1c(c2ccc(cc2s1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4978 |
| logD: | 5.4974 |
| logSw: | -6.0408 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.212 |
| InChI Key: | AWUPVTUYMMOKAP-UHFFFAOYSA-N |