2-[(7-chloro-2-hydroxy-4-phenylquinolin-3-yl)sulfanyl]-6-methyl-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[(7-chloro-2-hydroxy-4-phenylquinolin-3-yl)sulfanyl]-6-methyl-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one
2-[(7-chloro-2-hydroxy-4-phenylquinolin-3-yl)sulfanyl]-6-methyl-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3393-0089 |
| Compound Name: | 2-[(7-chloro-2-hydroxy-4-phenylquinolin-3-yl)sulfanyl]-6-methyl-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one |
| Molecular Weight: | 435.93 |
| Molecular Formula: | C23 H18 Cl N3 O2 S |
| Smiles: | CC1=C(CC=C)C(NC(=N1)Sc1c(c2ccccc2)c2ccc(cc2nc1O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2387 |
| logD: | 4.8861 |
| logSw: | -5.4756 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.172 |
| InChI Key: | NNBPSDYVRGRLBD-UHFFFAOYSA-N |