2-(benzylsulfanyl)-3-(cyclopentylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-3-(cyclopentylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-(benzylsulfanyl)-3-(cyclopentylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 3089-0869 |
| Compound Name: | 2-(benzylsulfanyl)-3-(cyclopentylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 470.68 |
| Molecular Formula: | C30 H34 N2 O S |
| Smiles: | C1CCC2(CC1)Cc1ccccc1C1=C2C(N(CC2CCCC2)C(=N1)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1004 |
| logD: | 7.1004 |
| logSw: | -6.0618 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.1072 |
| InChI Key: | PNFHTCGXMOXRMI-UHFFFAOYSA-N |