N-[(3-chlorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(3-chlorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0060876 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 415.94 |
| Molecular Formula: | C21 H22 Cl N3 O2 S |
| Smiles: | CCCCCN1C(c2ccc(cc2NC1=S)C(NCc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0822 |
| logD: | 5.0796 |
| logSw: | -5.1704 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.981 |
| InChI Key: | FLPAHESSEKQCKD-UHFFFAOYSA-N |