N-butyl-2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-ethylacetamide
Chemical Structure Depiction of
N-butyl-2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-ethylacetamide
N-butyl-2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-ethylacetamide
Compound characteristics
| Compound ID: | K286-3485 |
| Compound Name: | N-butyl-2-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-ethylacetamide |
| Molecular Weight: | 478.65 |
| Molecular Formula: | C21 H26 N4 O3 S3 |
| Smiles: | CCCCN(CC)C(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccc(cc1)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7962 |
| logD: | 3.7945 |
| logSw: | -3.7153 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.349 |
| InChI Key: | PODRENQZVLJRTP-UHFFFAOYSA-N |