4-{[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1-[(furan-2-yl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
Chemical Structure Depiction of
4-{[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1-[(furan-2-yl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
4-{[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1-[(furan-2-yl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
Compound characteristics
| Compound ID: | D468-0747 |
| Compound Name: | 4-{[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1-[(furan-2-yl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C21 H19 Cl N2 O4 S |
| Smiles: | [H]C([H])(C(c1ccc(c(c1)[Cl])OC)=O)SC1C2CCCC=2N(Cc2ccco2)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7557 |
| logD: | 3.7557 |
| logSw: | -4.2849 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.112 |
| InChI Key: | NBGNKXIOBBMUNM-UHFFFAOYSA-N |