9-(butylsulfanyl)-8-(prop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
9-(butylsulfanyl)-8-(prop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
9-(butylsulfanyl)-8-(prop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | 3455-0401 |
| Compound Name: | 9-(butylsulfanyl)-8-(prop-2-en-1-yl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 382.55 |
| Molecular Formula: | C21 H22 N2 O S2 |
| Smiles: | CCCCSC1=Nc2c(C(N1CC=C)=O)c1CCc3ccccc3c1s2 |
| Stereo: | ACHIRAL |
| logP: | 6.0192 |
| logD: | 6.0192 |
| logSw: | -5.4726 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.8438 |
| InChI Key: | RKGUGNMCAXZPQK-UHFFFAOYSA-N |