3-phenyl-2-[(prop-2-en-1-yl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-phenyl-2-[(prop-2-en-1-yl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
3-phenyl-2-[(prop-2-en-1-yl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3807-1014 |
| Compound Name: | 3-phenyl-2-[(prop-2-en-1-yl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 368.52 |
| Molecular Formula: | C20 H20 N2 O S2 |
| Smiles: | C=CCSC1=Nc2c(C(N1c1ccccc1)=O)c1CCCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 5.2358 |
| logD: | 5.2358 |
| logSw: | -5.2954 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.585 |
| InChI Key: | TXDMXLQJXPHCMA-UHFFFAOYSA-N |