2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methoxypropyl)acetamide
Chemical Structure Depiction of
2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methoxypropyl)acetamide
2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methoxypropyl)acetamide
Compound characteristics
| Compound ID: | K286-4044 |
| Compound Name: | 2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methoxypropyl)acetamide |
| Molecular Weight: | 487.02 |
| Molecular Formula: | C18 H19 Cl N4 O4 S3 |
| Smiles: | COCCCNC(CSC1NC(C2=C(N=1)N(C(=S)S2)c1cc(ccc1OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.962 |
| logD: | 1.9604 |
| logSw: | -2.9333 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.552 |
| InChI Key: | JUVNAOUOVKQOOI-UHFFFAOYSA-N |