2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4184-0030 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 527.09 |
| Molecular Formula: | C31 H27 Cl N2 O2 S |
| Smiles: | C1CCC2(CC1)Cc1ccccc1C1=C2C(N(C(=N1)SCC(c1ccc(cc1)[Cl])=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8145 |
| logD: | 6.6793 |
| logSw: | -6.3731 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.185 |
| InChI Key: | RXPRFNMLAUOOHE-UHFFFAOYSA-N |