3-[(3-bromophenyl)methyl]-N-[(3-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(3-bromophenyl)methyl]-N-[(3-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(3-bromophenyl)methyl]-N-[(3-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061136 |
| Compound Name: | 3-[(3-bromophenyl)methyl]-N-[(3-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 514.83 |
| Molecular Formula: | C23 H17 Br Cl N3 O2 S |
| Smiles: | C(c1cccc(c1)[Cl])NC(c1ccc2C(N(Cc3cccc(c3)[Br])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4842 |
| logD: | 5.4834 |
| logSw: | -5.9043 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.731 |
| InChI Key: | NZAVUPKKCFNBAF-UHFFFAOYSA-N |