ethyl 2-({6-bromo-3-[(4-methoxyphenyl)carbamoyl]-2H-1-benzopyran-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({6-bromo-3-[(4-methoxyphenyl)carbamoyl]-2H-1-benzopyran-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({6-bromo-3-[(4-methoxyphenyl)carbamoyl]-2H-1-benzopyran-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2300-3294 |
| Compound Name: | ethyl 2-({6-bromo-3-[(4-methoxyphenyl)carbamoyl]-2H-1-benzopyran-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 581.48 |
| Molecular Formula: | C28 H25 Br N2 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1/N=C1/C(=Cc2cc(ccc2O1)[Br])C(Nc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.541 |
| logD: | 6.5408 |
| logSw: | -5.7367 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.049 |
| InChI Key: | JVHOVRJFGOQPJD-UHFFFAOYSA-N |