N-(butan-2-yl)-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}acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-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}acetamide
N-(butan-2-yl)-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}acetamide
Compound characteristics
| Compound ID: | K286-3565 |
| Compound Name: | N-(butan-2-yl)-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}acetamide |
| Molecular Weight: | 471.02 |
| Molecular Formula: | C18 H19 Cl N4 O3 S3 |
| Smiles: | CCC(C)NC(CSC1NC(C2=C(N=1)N(C(=S)S2)c1cc(ccc1OC)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8944 |
| logD: | 2.8928 |
| logSw: | -3.5577 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.81 |
| InChI Key: | PUWZSMYRLXVISG-VIFPVBQESA-N |