4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethyl-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethyl-6-methyl-2H-1,4-benzoxazin-3(4H)-one
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethyl-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K784-9853 |
| Compound Name: | 4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethyl-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C24 H29 N3 O3 |
| Smiles: | CCC1C(N(CC(N2CCN(CC2)Cc2ccccc2)=O)c2cc(C)ccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.969 |
| logD: | 2.9535 |
| logSw: | -3.2518 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.199 |
| InChI Key: | QNFHKHHVSGOFNM-NRFANRHFSA-N |