3-benzyl-5-{4-[(prop-2-en-1-yl)oxy]phenyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-benzyl-5-{4-[(prop-2-en-1-yl)oxy]phenyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-benzyl-5-{4-[(prop-2-en-1-yl)oxy]phenyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | 8015-0730 |
| Compound Name: | 3-benzyl-5-{4-[(prop-2-en-1-yl)oxy]phenyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C21 H17 N3 O2 S2 |
| Smiles: | C=CCOc1ccc(cc1)C1NC(C2=C(N=1)N(Cc1ccccc1)C(=S)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4445 |
| logD: | 4.4441 |
| logSw: | -4.4652 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.715 |
| InChI Key: | XRSCJPTXLUEPAA-UHFFFAOYSA-N |