2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(cyclopentylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(cyclopentylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(cyclopentylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4184-0029 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(cyclopentylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 533.13 |
| Molecular Formula: | C31 H33 Cl N2 O2 S |
| Smiles: | C1CCC2(CC1)Cc1ccccc1C1=C2C(N(CC2CCCC2)C(=N1)SCC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4979 |
| logD: | 7.4978 |
| logSw: | -6.4661 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.354 |
| InChI Key: | FUIADPODHFZLOZ-UHFFFAOYSA-N |