3-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061325 |
| Compound Name: | 3-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C25 H29 N3 O4 S |
| Smiles: | COc1ccc(CCNC(c2ccc3C(N(C4CCCCC4)C(Nc3c2)=S)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.5695 |
| logD: | 3.5686 |
| logSw: | -3.8264 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.055 |
| InChI Key: | PPOLBPQFSCWNFH-UHFFFAOYSA-N |