Chemical ID: 5798933

CCC(C(=O)NN=Cc1ccc2ccccc2c1)Oc3ccc4ccccc4c3Br
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

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