N-benzyl-3-[(2-chlorophenyl)methyl]-N-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-3-[(2-chlorophenyl)methyl]-N-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-benzyl-3-[(2-chlorophenyl)methyl]-N-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-0038 |
| Compound Name: | N-benzyl-3-[(2-chlorophenyl)methyl]-N-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 449.96 |
| Molecular Formula: | C24 H20 Cl N3 O2 S |
| Smiles: | CN(Cc1ccccc1)C(c1ccc2C(N(Cc3ccccc3[Cl])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.699 |
| logD: | 4.6989 |
| logSw: | -4.8292 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.468 |
| InChI Key: | XEIDERRCINRARV-UHFFFAOYSA-N |