3-({[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-4-methoxybenzaldehyde
Chemical Structure Depiction of
3-({[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-4-methoxybenzaldehyde
3-({[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-4-methoxybenzaldehyde
Compound characteristics
| Compound ID: | C200-6732 |
| Compound Name: | 3-({[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}methyl)-4-methoxybenzaldehyde |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C23 H21 N3 O4 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(N(C)C(=N2)SCc2cc(C=O)ccc2OC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.109 |
| logD: | 4.109 |
| logSw: | -4.2272 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 56.516 |
| InChI Key: | PFGQLUMHHMDDJO-UHFFFAOYSA-N |