ethyl 4-cyano-3-methyl-5-({[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)thiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 4-cyano-3-methyl-5-({[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)thiophene-2-carboxylate
ethyl 4-cyano-3-methyl-5-({[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8010-1360 |
| Compound Name: | ethyl 4-cyano-3-methyl-5-({[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}amino)thiophene-2-carboxylate |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C21 H18 N4 O5 S |
| Smiles: | CCOC(c1c(C)c(C#N)c(N/C=C2/C(NC(N(C2=O)c2cccc(C)c2)=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6705 |
| logD: | -1.1828 |
| logSw: | -2.964 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.596 |
| InChI Key: | GGELWFMWGWAPNJ-UHFFFAOYSA-N |