2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
Compound ID: | 4112-0573 |
Compound Name: | 2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
Molecular Weight: | 423.55 |
Molecular Formula: | C22 H21 N3 O2 S2 |
Smiles: | Cc1c(CSC2=Nc3c(C(N2c2ccccc2)=O)c2CCCCc2s3)c(C)on1 |
Stereo: | ACHIRAL |
logP: | 4.6991 |
logD: | 4.6991 |
logSw: | -4.6081 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 47.021 |
InChI Key: | HTUITCVQNNSKCW-UHFFFAOYSA-N |