4-{[2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
4-{[2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4750 |
| Compound Name: | 4-{[2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 562.73 |
| Molecular Formula: | C31 H38 N4 O4 S |
| Smiles: | Cc1ccc(cc1C)NC(CSC1=Nc2ccccc2C(N1CC1CCC(CC1)C(NCC1CCCO1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7838 |
| logD: | 4.7838 |
| logSw: | -4.5205 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.18 |
| InChI Key: | IRDUNSGWYIYMQL-OOEPIQFGSA-N |