3-(cyclohexylmethyl)-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
3-(cyclohexylmethyl)-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
3-(cyclohexylmethyl)-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 4209-0034 |
| Compound Name: | 3-(cyclohexylmethyl)-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 484.7 |
| Molecular Formula: | C31 H36 N2 O S |
| Smiles: | C1CCC(CC1)CN1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 8.0186 |
| logD: | 8.0186 |
| logSw: | -6.1571 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.1072 |
| InChI Key: | AADHIXIJOLQJHJ-UHFFFAOYSA-N |