4-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-1-(4-methylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
Chemical Structure Depiction of
4-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-1-(4-methylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
4-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-1-(4-methylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
Compound characteristics
| Compound ID: | D468-1025 |
| Compound Name: | 4-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-1-(4-methylphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C24 H22 N2 O4 S |
| Smiles: | [H]C([H])(C(c1ccc2c(c1)OCCO2)=O)SC1C2CCCC=2N(C(N=1)=O)c1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1915 |
| logD: | 3.1912 |
| logSw: | -3.3394 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.944 |
| InChI Key: | DBDVMBFPGKURIR-UHFFFAOYSA-N |