N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-2421 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 519.58 |
| Molecular Formula: | C27 H25 N3 O6 S |
| Smiles: | COc1ccc(CCN2C(c3ccc(cc3NC2=S)C(NCc2ccc3c(c2)OCO3)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.6052 |
| logD: | 3.5975 |
| logSw: | -3.8641 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.086 |
| InChI Key: | IBBSYNJCBLNHQD-UHFFFAOYSA-N |