3-[(3-bromophenyl)methyl]-N-(3-chloro-4-methylphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(3-bromophenyl)methyl]-N-(3-chloro-4-methylphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(3-bromophenyl)methyl]-N-(3-chloro-4-methylphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061925 |
| Compound Name: | 3-[(3-bromophenyl)methyl]-N-(3-chloro-4-methylphenyl)-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: | Cc1ccc(cc1[Cl])NC(c1ccc2C(N(Cc3cccc(c3)[Br])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5112 |
| logD: | 6.5011 |
| logSw: | -6.1475 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.409 |
| InChI Key: | JNEOEVOEBWLKRK-UHFFFAOYSA-N |