3-(3-methylphenyl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-(3-methylphenyl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-(3-methylphenyl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 3455-1259 |
| Compound Name: | 3-(3-methylphenyl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C24 H24 N2 O S |
| Smiles: | Cc1cccc(c1)N1C(C2=C(c3ccccc3CC23CCCCC3)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2324 |
| logD: | 5.1934 |
| logSw: | -4.88 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.4845 |
| InChI Key: | KLUIWIHXELTWEC-UHFFFAOYSA-N |