ethyl 2-{3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y010-1856 |
| Compound Name: | ethyl 2-{3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C24 H27 N3 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1n1c(C)cc(C=C2C(N(C)C(N(C)C2=O)=O)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.79 |
| logD: | 3.79 |
| logSw: | -4.2235 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.534 |
| InChI Key: | XQZBCKXHKXBAPF-UHFFFAOYSA-N |