2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4184-0079 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 491.05 |
| Molecular Formula: | C28 H27 Cl N2 O2 S |
| Smiles: | C=CCN1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.3019 |
| logD: | 6.3019 |
| logSw: | -6.2041 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.046 |
| InChI Key: | HOCYISZQKOGTDX-UHFFFAOYSA-N |