ethyl 2-[4-({[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[4-({[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[4-({[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-9877 |
| Compound Name: | ethyl 2-[4-({[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 572.64 |
| Molecular Formula: | C30 H28 N4 O6 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1ccc(cc1)N/C=C1/C(NC(N(C1=O)c1ccc(C)cc1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.447 |
| logD: | 0.6122 |
| logSw: | -4.3744 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.551 |
| InChI Key: | QZSUZIVUSZACJM-UHFFFAOYSA-N |