2-{[1-(cyanomethyl)-1H-indol-3-yl]methylidene}-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[1-(cyanomethyl)-1H-indol-3-yl]methylidene}-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
2-{[1-(cyanomethyl)-1H-indol-3-yl]methylidene}-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | 3667-0559 |
| Compound Name: | 2-{[1-(cyanomethyl)-1H-indol-3-yl]methylidene}-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 559.65 |
| Molecular Formula: | C32 H25 N5 O3 S |
| Smiles: | CC1=C(C(c2cccc(c2)OC)N2C(=N1)SC(=C/c1cn(CC#N)c3ccccc13)\C2=O)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7107 |
| logD: | 4.71 |
| logSw: | -4.6439 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.103 |
| InChI Key: | BAXRLQKDUISPKH-GDLZYMKVSA-N |