2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylprop-2-en-1-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-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 4222-0157 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 491.05 |
| Molecular Formula: | C28 H27 Cl N2 O2 S |
| Smiles: | CC(=C)CN1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.4678 |
| logD: | 6.4678 |
| logSw: | -6.1236 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.434 |
| InChI Key: | YGDKPWQGLYHPBF-UHFFFAOYSA-N |