2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2,2-dimethyloxan-4-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2,2-dimethyloxan-4-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2,2-dimethyloxan-4-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 4184-0138 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2,2-dimethyloxan-4-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 549.13 |
| Molecular Formula: | C31 H33 Cl N2 O3 S |
| Smiles: | CC1(C)CC(CCO1)N1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2513 |
| logD: | 6.2513 |
| logSw: | -6.0566 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.583 |
| InChI Key: | FZYWJIJYKKYXIC-QHCPKHFHSA-N |