5-(butylsulfanyl)-3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-(butylsulfanyl)-3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-(butylsulfanyl)-3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | F092-0003 |
| Compound Name: | 5-(butylsulfanyl)-3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 393.55 |
| Molecular Formula: | C17 H19 N3 O2 S3 |
| Smiles: | CCCCSC1NC(C2=C(N=1)N(C(=S)S2)c1ccc(cc1)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4127 |
| logD: | 4.411 |
| logSw: | -4.0401 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.691 |
| InChI Key: | SMEXQIQATFVNKO-UHFFFAOYSA-N |