3-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-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: | 3807-1151 |
| Compound Name: | 3-(4-methylphenyl)-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: | 382.55 |
| Molecular Formula: | C21 H22 N2 O S2 |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCCCCc1s2)SCC=C |
| Stereo: | ACHIRAL |
| logP: | 5.7808 |
| logD: | 5.7808 |
| logSw: | -5.3969 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.585 |
| InChI Key: | UOHSKAPTWAMYST-UHFFFAOYSA-N |