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-methylbutyl)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-methylbutyl)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-methylbutyl)acetamide
Compound characteristics
| Compound ID: | K286-3583 |
| 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-methylbutyl)acetamide |
| Molecular Weight: | 485.04 |
| Molecular Formula: | C19 H21 Cl N4 O3 S3 |
| Smiles: | CC(C)CCNC(CSC1NC(C2=C(N=1)N(C(=S)S2)c1cc(ccc1OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2961 |
| logD: | 3.2945 |
| logSw: | -3.7311 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.21 |
| InChI Key: | VQUXTWQCBIYWMY-UHFFFAOYSA-N |