10-benzoyl-3,3-dimethyl-11-(5-nitrothiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-benzoyl-3,3-dimethyl-11-(5-nitrothiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-benzoyl-3,3-dimethyl-11-(5-nitrothiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
Compound ID: | 3045-0126 |
Compound Name: | 10-benzoyl-3,3-dimethyl-11-(5-nitrothiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
Molecular Weight: | 473.55 |
Molecular Formula: | C26 H23 N3 O4 S |
Smiles: | CC1(C)CC2=C(C(c3ccc([N+]([O-])=O)s3)N(C(c3ccccc3)=O)c3ccccc3N2)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.2688 |
logD: | 5.2237 |
logSw: | -5.2631 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.916 |
InChI Key: | CUGUQJIRBYUYNX-DEOSSOPVSA-N |