N-(3-chloro-4-methylphenyl)-2-{[6-(2-methoxyphenyl)-7-oxo-3-(2-phenylethyl)-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[6-(2-methoxyphenyl)-7-oxo-3-(2-phenylethyl)-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(3-chloro-4-methylphenyl)-2-{[6-(2-methoxyphenyl)-7-oxo-3-(2-phenylethyl)-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K286-3988 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[6-(2-methoxyphenyl)-7-oxo-3-(2-phenylethyl)-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 609.19 |
| Molecular Formula: | C29 H25 Cl N4 O3 S3 |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=NC2=C(C(N1c1ccccc1OC)=O)SC(N2CCc1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7319 |
| logD: | 6.7318 |
| logSw: | -6.2071 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.023 |
| InChI Key: | DMRBWDPBTZYCCB-UHFFFAOYSA-N |