3-benzyl-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Chemical Structure Depiction of
3-benzyl-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
3-benzyl-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | F841-1020 |
| Compound Name: | 3-benzyl-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| Molecular Weight: | 506.63 |
| Molecular Formula: | C30 H26 N4 O2 S |
| Smiles: | C1Cc2ccccc2N(C1)C(CSC1=Nc2cc(c3ccccc3)[nH]c2C(N1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7736 |
| logD: | 5.7736 |
| logSw: | -5.8349 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.052 |
| InChI Key: | IQCOWTCBBMFOLW-UHFFFAOYSA-N |