3-(3-bromophenyl)-6,6-dimethyl-2-[(prop-2-en-1-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-(3-bromophenyl)-6,6-dimethyl-2-[(prop-2-en-1-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
3-(3-bromophenyl)-6,6-dimethyl-2-[(prop-2-en-1-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 5627-0093 |
| Compound Name: | 3-(3-bromophenyl)-6,6-dimethyl-2-[(prop-2-en-1-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 463.41 |
| Molecular Formula: | C20 H19 Br N2 O2 S2 |
| Smiles: | CC1(C)Cc2c3C(N(C(=Nc3sc2CO1)SCC=C)c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4986 |
| logD: | 5.4986 |
| logSw: | -5.5043 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.951 |
| InChI Key: | XDJSLWVTIKQTAY-UHFFFAOYSA-N |