methyl 3-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]thiophene-2-carboxylate
methyl 3-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y205-4062 |
| Compound Name: | methyl 3-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]thiophene-2-carboxylate |
| Molecular Weight: | 396.83 |
| Molecular Formula: | C15 H9 Cl N2 O5 S2 |
| Smiles: | COC(c1c(ccs1)NC(c1c(c2ccc(cc2s1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3324 |
| logD: | 3.584 |
| logSw: | -4.7417 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.952 |
| InChI Key: | MNMOXXBKLKQUPI-UHFFFAOYSA-N |