1-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-4-carboxamide
1-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K284-2430 |
| Compound Name: | 1-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-4-carboxamide |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | COc1ccc(CCN2C(c3ccc(cc3NC2=S)C(N2CCC(CC2)C(N)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.4028 |
| logD: | 1.4013 |
| logSw: | -2.5114 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.264 |
| InChI Key: | HOOYLRLHEBXXMP-UHFFFAOYSA-N |