2-(butylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(butylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-(butylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 2969-0306 |
| Compound Name: | 2-(butylsulfanyl)-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 334.5 |
| Molecular Formula: | C17 H22 N2 O S2 |
| Smiles: | CCCCSC1=Nc2c(C(N1CC=C)=O)c1CCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 5.0224 |
| logD: | 5.0224 |
| logSw: | -4.6981 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.1154 |
| InChI Key: | CXCVJMSXSSXHSS-UHFFFAOYSA-N |