3-(3-bromophenyl)-6,6-dimethyl-2-sulfanylidene-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-(3-bromophenyl)-6,6-dimethyl-2-sulfanylidene-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
3-(3-bromophenyl)-6,6-dimethyl-2-sulfanylidene-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 5627-0088 |
| Compound Name: | 3-(3-bromophenyl)-6,6-dimethyl-2-sulfanylidene-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 423.35 |
| Molecular Formula: | C17 H15 Br N2 O2 S2 |
| Smiles: | CC1(C)Cc2c3C(N(C(Nc3sc2CO1)=S)c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3838 |
| logD: | 2.9036 |
| logSw: | -4.5614 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.226 |
| InChI Key: | ZGRDSVUAACJPMQ-UHFFFAOYSA-N |