2-[(4-{4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexane-1-carbonyl}piperazin-1-yl)methyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-[(4-{4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexane-1-carbonyl}piperazin-1-yl)methyl]quinazolin-4(3H)-one
2-[(4-{4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexane-1-carbonyl}piperazin-1-yl)methyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | D757-0271 |
| Compound Name: | 2-[(4-{4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexane-1-carbonyl}piperazin-1-yl)methyl]quinazolin-4(3H)-one |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C29 H33 N5 O3 |
| Smiles: | C1C[C@@H](CC[C@H]1CN1Cc2ccccc2C1=O)C(N1CCN(CC1)CC1NC(c2ccccc2N=1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4558 |
| logD: | 2.4533 |
| logSw: | -3.0439 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.199 |
| InChI Key: | JKBBVQHQQDWSDJ-UHFFFAOYSA-N |