N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-5693 |
| Compound Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 546.62 |
| Molecular Formula: | C34 H30 N2 O5 |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(c1ccc(\C=C2/C(N(Cc3ccc(C)cc3)c3ccccc3O2)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.462 |
| logD: | 5.462 |
| logSw: | -5.4009 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.432 |
| InChI Key: | XNMDUEFRUKRACL-QHCPKHFHSA-N |