ethyl 5-(3-bromo-4-methoxyphenyl)-7-methyl-2-{[2-methyl-1-(prop-2-en-1-yl)-1H-indol-3-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-(3-bromo-4-methoxyphenyl)-7-methyl-2-{[2-methyl-1-(prop-2-en-1-yl)-1H-indol-3-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(3-bromo-4-methoxyphenyl)-7-methyl-2-{[2-methyl-1-(prop-2-en-1-yl)-1H-indol-3-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4489-4148 |
| Compound Name: | ethyl 5-(3-bromo-4-methoxyphenyl)-7-methyl-2-{[2-methyl-1-(prop-2-en-1-yl)-1H-indol-3-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 606.54 |
| Molecular Formula: | C30 H28 Br N3 O4 S |
| Smiles: | CCOC(C1C(c2ccc(c(c2)[Br])OC)N2C(=NC=1C)SC(=C\c1c3ccccc3n(CC=C)c1C)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1723 |
| logD: | 6.1722 |
| logSw: | -5.7723 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.828 |
| InChI Key: | YRYBRNOOGXAPLK-MHZLTWQESA-N |