methyl 3-[(5-cyclohexyl-5-methyl-4-oxo-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)sulfanyl]propanoate
Chemical Structure Depiction of
methyl 3-[(5-cyclohexyl-5-methyl-4-oxo-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)sulfanyl]propanoate
methyl 3-[(5-cyclohexyl-5-methyl-4-oxo-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | 3379-2339 |
| Compound Name: | methyl 3-[(5-cyclohexyl-5-methyl-4-oxo-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)sulfanyl]propanoate |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C23 H28 N2 O3 S |
| Smiles: | CC1(Cc2ccccc2C2=C1C(NC(=N2)SCCC(=O)OC)=O)C1CCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8351 |
| logD: | 4.7664 |
| logSw: | -4.6037 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.13 |
| InChI Key: | AIBSJYRYVKCZOS-QHCPKHFHSA-N |