2-(butylsulfanyl)-3-(2,2-dimethyloxan-4-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
2-(butylsulfanyl)-3-(2,2-dimethyloxan-4-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
2-(butylsulfanyl)-3-(2,2-dimethyloxan-4-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 4184-0133 |
| Compound Name: | 2-(butylsulfanyl)-3-(2,2-dimethyloxan-4-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 452.66 |
| Molecular Formula: | C27 H36 N2 O2 S |
| Smiles: | CCCCSC1=NC2=C(C(N1C1CCOC(C)(C)C1)=O)C1(CCCC1)Cc1ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1721 |
| logD: | 6.1721 |
| logSw: | -5.4557 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.607 |
| InChI Key: | TWKPHXFOURVWKU-FQEVSTJZSA-N |