2-{[(2-chlorophenyl)methyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
2-{[(2-chlorophenyl)methyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | D325-0573 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 408.95 |
| Molecular Formula: | C23 H21 Cl N2 O S |
| Smiles: | C1CCC2(C1)Cc1ccccc1C1=C2C(NC(=N1)SCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4649 |
| logD: | 5.4416 |
| logSw: | -5.8772 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.645 |
| InChI Key: | KPCLWNUOFRLFHT-UHFFFAOYSA-N |