methyl 3-({4-[(2,3-dimethylcyclohexyl)carbamoyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-({4-[(2,3-dimethylcyclohexyl)carbamoyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-({4-[(2,3-dimethylcyclohexyl)carbamoyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-3673 |
| Compound Name: | methyl 3-({4-[(2,3-dimethylcyclohexyl)carbamoyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C26 H29 N3 O4 S |
| Smiles: | CC1CCCC(C1C)NC(c1ccc(CN2C(c3ccc(cc3NC2=S)C(=O)OC)=O)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4716 |
| logD: | 4.4702 |
| logSw: | -4.2952 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.021 |
| InChI Key: | ZBSDGVCWSUJXLC-UHFFFAOYSA-N |