3-(2,2-dimethyloxan-4-yl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-(2,2-dimethyloxan-4-yl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-(2,2-dimethyloxan-4-yl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4232-0138 |
| Compound Name: | 3-(2,2-dimethyloxan-4-yl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 464.67 |
| Molecular Formula: | C28 H36 N2 O2 S |
| Smiles: | CC(=C)CSC1=NC2=C(C(N1C1CCOC(C)(C)C1)=O)C1(CCCCC1)Cc1ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2461 |
| logD: | 6.2461 |
| logSw: | -5.3268 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.241 |
| InChI Key: | KXXJTHFQSQGBAV-NRFANRHFSA-N |