methyl [(5-cyclohexyl-5-methyl-4-oxo-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(5-cyclohexyl-5-methyl-4-oxo-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)sulfanyl]acetate
methyl [(5-cyclohexyl-5-methyl-4-oxo-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 4121-0056 |
| Compound Name: | methyl [(5-cyclohexyl-5-methyl-4-oxo-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C22 H26 N2 O3 S |
| Smiles: | CC1(Cc2ccccc2C2=C1C(NC(=N2)SCC(=O)OC)=O)C1CCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2927 |
| logD: | 4.2382 |
| logSw: | -4.481 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.13 |
| InChI Key: | BYSUMBFCWPJNLW-QFIPXVFZSA-N |