3-benzyl-5-(3,4-diethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-benzyl-5-(3,4-diethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-benzyl-5-(3,4-diethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | 8015-1098 |
| Compound Name: | 3-benzyl-5-(3,4-diethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C22 H21 N3 O3 S2 |
| Smiles: | CCOc1ccc(cc1OCC)C1NC(C2=C(N=1)N(Cc1ccccc1)C(=S)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9493 |
| logD: | 3.9492 |
| logSw: | -4.0877 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.718 |
| InChI Key: | RSEPBPGAKNVOTR-UHFFFAOYSA-N |