2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 8009-6646 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 450.99 |
| Molecular Formula: | C25 H23 Cl N2 O2 S |
| Smiles: | C1CCC2(CC1)Cc1ccccc1C1=C2C(NC(=N1)SCC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3647 |
| logD: | 5.3248 |
| logSw: | -5.9432 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.526 |
| InChI Key: | QSDMIJLKMAMTGR-UHFFFAOYSA-N |