6-amino-1-phenyl-2-{[(4'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-yl)methyl]sulfanyl}pyrimidin-4(1H)-one
Chemical Structure Depiction of
6-amino-1-phenyl-2-{[(4'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-yl)methyl]sulfanyl}pyrimidin-4(1H)-one
6-amino-1-phenyl-2-{[(4'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-yl)methyl]sulfanyl}pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8016-5421 |
| Compound Name: | 6-amino-1-phenyl-2-{[(4'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-yl)methyl]sulfanyl}pyrimidin-4(1H)-one |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C24 H24 N4 O S |
| Smiles: | C1CCC2(C1)Cc1ccccc1C(CSC1=NC(C=C(N)N1c1ccccc1)=O)=N2 |
| Stereo: | ACHIRAL |
| logP: | 3.4444 |
| logD: | 3.4436 |
| logSw: | -3.8421 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.061 |
| InChI Key: | MGDJOWGNSSLPPA-UHFFFAOYSA-N |