3-({[3-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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: | F143-0289 |
| Compound Name: | 3-({[3-(4-chlorophenyl)-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: | 490.02 |
| Molecular Formula: | C21 H16 Cl N3 O3 S3 |
| Smiles: | CN1C(=NC2=C(C1=O)SC(N2c1ccc(cc1)[Cl])=S)SCc1cc(C=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.3348 |
| logD: | 4.3348 |
| logSw: | -4.8606 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 49.393 |
| InChI Key: | HSIKFGNSDPUPME-UHFFFAOYSA-N |