5-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2,2-dimethylpropanoyl)-3-methylpiperazin-1-yl]pentan-1-one
Chemical Structure Depiction of
5-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2,2-dimethylpropanoyl)-3-methylpiperazin-1-yl]pentan-1-one
5-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2,2-dimethylpropanoyl)-3-methylpiperazin-1-yl]pentan-1-one
Compound characteristics
| Compound ID: | V009-8817 |
| Compound Name: | 5-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2,2-dimethylpropanoyl)-3-methylpiperazin-1-yl]pentan-1-one |
| Molecular Weight: | 533.74 |
| Molecular Formula: | C30 H39 N5 O2 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(C(C)(C)C)=O)C(CCCCSc1nnc(Cc2ccccc2)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.591 |
| logD: | 4.591 |
| logSw: | -4.4011 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.027 |
| InChI Key: | IVFBDBIOLLGEHT-QHCPKHFHSA-N |