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Chemical ID: 5798933
Chemical ID:
5798933
Name [?]:
2-[(1-bromo-2-naphthyl)oxy]-N-(2-naphthylmethyleneamino)butanamide
SMILES [?]:
CCC(C(=O)NN=Cc1ccc2ccccc2c1)Oc3ccc4ccccc4c3Br
InChi [?]:
InChI=1/C25H21BrN2O2/c1-2-22(30-23-14-13-19-8-5-6-10-21(19)24(23)26)25(29)28-27-16-17-11-12-18-7-3-4-9-20(18)15-17/h3-16,22H,2H2,1H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,25,26,13,24,16,27,10,11,22,21,18,8,9,12,23,17,28,3,20,29,4,30,7,6,5,19/rA:30cCCCCONNCCCCCCCCCCCOCCCCCCCCCCBr/rB:s1;s2;s3;d4;s4;s6;w7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s3;s19;s20;d21;s22;s23;d24;s25;d26;d23s27;d20s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H21BrN2O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6675 |
Area: | 621.08 |
Solvation: | -4.85952 |
Coulombic: | -29.9953 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 461.351 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 7.89 |
LogP (Chemaxon): | 6.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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