3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061949 |
| Compound Name: | 3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 479.86 |
| Molecular Formula: | C21 H13 Cl F3 N3 O3 S |
| Smiles: | C(c1ccco1)NC(c1ccc2C(N(C(Nc2c1)=S)c1cc(ccc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6146 |
| logD: | 4.5941 |
| logSw: | -4.7845 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.568 |
| InChI Key: | XADMQOQXOGLCKJ-UHFFFAOYSA-N |