4-(adamantan-1-yl)-N-(1-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-3-methyl-1-oxobutan-2-yl)benzamide
Chemical Structure Depiction of
4-(adamantan-1-yl)-N-(1-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-3-methyl-1-oxobutan-2-yl)benzamide
4-(adamantan-1-yl)-N-(1-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-3-methyl-1-oxobutan-2-yl)benzamide
Compound characteristics
| Compound ID: | C155-0394 |
| Compound Name: | 4-(adamantan-1-yl)-N-(1-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-3-methyl-1-oxobutan-2-yl)benzamide |
| Molecular Weight: | 508.75 |
| Molecular Formula: | C31 H48 N4 O2 |
| Smiles: | CCN1CCN(CCCNC(C(C(C)C)NC(c2ccc(cc2)C23CC4CC(CC(C4)C3)C2)=O)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6751 |
| logD: | 3.7269 |
| logSw: | -3.999 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.811 |
| InChI Key: | JRUPYIDWUVPALG-LNGGCWNSSA-N |