4-[11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 8015-6695 |
| Compound Name: | 4-[11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid |
| Molecular Weight: | 546.71 |
| Molecular Formula: | C33 H42 N2 O5 |
| Smiles: | CC1(C)CC2=C(C(c3cc(c(c(c3)C(C)(C)C)O)C(C)(C)C)N(C(CCC(O)=O)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9947 |
| logD: | 3.0453 |
| logSw: | -5.3228 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.772 |
| InChI Key: | PNNVCVLIIPERJT-LJAQVGFWSA-N |