2-({3-[(2,3-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene)-7-methyl-3-oxo-N-phenyl-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-({3-[(2,3-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene)-7-methyl-3-oxo-N-phenyl-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
2-({3-[(2,3-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene)-7-methyl-3-oxo-N-phenyl-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | Y501-9256 |
| Compound Name: | 2-({3-[(2,3-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene)-7-methyl-3-oxo-N-phenyl-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 621.78 |
| Molecular Formula: | C35 H31 N3 O4 S2 |
| Smiles: | CC1=C(C(c2cccs2)N2C(=N1)SC(=C\c1ccc(c(COc3cccc(C)c3C)c1)OC)\C2=O)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7829 |
| logD: | 6.782 |
| logSw: | -5.694 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.048 |
| InChI Key: | QHCVTCCJPBVLBC-JGCGQSQUSA-N |