4-{[2-(azepan-1-yl)-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-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-[(furan-2-yl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
4-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-[(furan-2-yl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one
Compound characteristics
| Compound ID: | G857-0423 |
| Compound Name: | 4-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-[(furan-2-yl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidin-2-one |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C20 H25 N3 O3 S |
| Smiles: | C1CCCN(CC1)C(CSC1C2CCCC=2N(Cc2ccco2)C(N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8318 |
| logD: | 2.8318 |
| logSw: | -3.0099 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.958 |
| InChI Key: | REVQAGALMHUPKM-UHFFFAOYSA-N |