methyl 3-{[4-(cycloheptylcarbamoyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-(cycloheptylcarbamoyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{[4-(cycloheptylcarbamoyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-3669 |
| Compound Name: | methyl 3-{[4-(cycloheptylcarbamoyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C25 H27 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)C(NC3CCCCCC3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.875 |
| logD: | 4.8737 |
| logSw: | -4.5858 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.961 |
| InChI Key: | YTEWOYCESUJYGC-UHFFFAOYSA-N |