3-(2,2-dimethyloxan-4-yl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
3-(2,2-dimethyloxan-4-yl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
3-(2,2-dimethyloxan-4-yl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 4184-0135 |
| Compound Name: | 3-(2,2-dimethyloxan-4-yl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 436.62 |
| Molecular Formula: | C26 H32 N2 O2 S |
| Smiles: | CC1(C)CC(CCO1)N1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3685 |
| logD: | 5.3685 |
| logSw: | -5.3202 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.607 |
| InChI Key: | XBFDZKBQUQMFFI-IBGZPJMESA-N |