3-benzyl-5-{3-[(2-methylprop-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-{3-[(2-methylprop-2-en-1-yl)oxy]phenyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-benzyl-5-{3-[(2-methylprop-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: | 8015-3096 |
| Compound Name: | 3-benzyl-5-{3-[(2-methylprop-2-en-1-yl)oxy]phenyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C22 H19 N3 O2 S2 |
| Smiles: | CC(=C)COc1cccc(c1)C1NC(C2=C(N=1)N(Cc1ccccc1)C(=S)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9378 |
| logD: | 4.9376 |
| logSw: | -4.6469 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.797 |
| InChI Key: | HVOXRBXMBDVXQE-UHFFFAOYSA-N |