methyl 3-({4-[3-(ethoxycarbonyl)piperidine-1-carbonyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-({4-[3-(ethoxycarbonyl)piperidine-1-carbonyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-({4-[3-(ethoxycarbonyl)piperidine-1-carbonyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-3695 |
| Compound Name: | methyl 3-({4-[3-(ethoxycarbonyl)piperidine-1-carbonyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 509.58 |
| Molecular Formula: | C26 H27 N3 O6 S |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc(CN2C(c3ccc(cc3NC2=S)C(=O)OC)=O)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4102 |
| logD: | 3.4089 |
| logSw: | -3.7058 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.827 |
| InChI Key: | YQUXSQSHLVNOFZ-IBGZPJMESA-N |