2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide
Chemical Structure Depiction of
2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide
2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | 8015-5085 |
| Compound Name: | 2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide |
| Molecular Weight: | 556.13 |
| Molecular Formula: | C32 H30 Cl N3 O2 S |
| Smiles: | C1CCC2(CC1)Cc1ccccc1C1=C2C(N(Cc2ccccc2)C(=N1)SCC(Nc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7469 |
| logD: | 6.7468 |
| logSw: | -6.297 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.001 |
| InChI Key: | YKCUQOFCISWIBK-UHFFFAOYSA-N |