3-(3-chloro-4-fluorophenyl)-N-[(3-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-N-[(3-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(3-chloro-4-fluorophenyl)-N-[(3-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061016 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-N-[(3-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 474.34 |
| Molecular Formula: | C22 H14 Cl2 F N3 O2 S |
| Smiles: | C(c1cccc(c1)[Cl])NC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7768 |
| logD: | 4.6703 |
| logSw: | -5.0018 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.12 |
| InChI Key: | NCSHOQJMVHQKHV-UHFFFAOYSA-N |