N-[(3-chlorophenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
N-[(3-chlorophenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
Compound characteristics
| Compound ID: | K284-2398 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide |
| Molecular Weight: | 387.89 |
| Molecular Formula: | C19 H18 Cl N3 O2 S |
| Smiles: | C(CC(NCc1cccc(c1)[Cl])=O)CN1C(c2ccccc2NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.046 |
| logD: | 3.0449 |
| logSw: | -3.7705 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.768 |
| InChI Key: | LXCIXRFOHYPHMJ-UHFFFAOYSA-N |