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Chemical ID: 6620980
Chemical ID:
6620980
Name [?]:
5-bromo-N-[(5-bromo-2-butoxy-phenyl)methyleneamino]-2-methoxy-benzamide
SMILES [?]:
CCCCOc1ccc(cc1C=NNC(=O)c2cc(ccc2OC)Br)Br
InChi [?]:
InChI=1/C19H20Br2N2O3/c1-3-4-9-26-17-7-5-14(20)10-13(17)12-22-23-19(24)16-11-15(21)6-8-18(16)25-2/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,2,3,8,20,7,21,4,10,18,12,11,9,19,17,6,22,15,26,25,13,14,16,23,5/rA:26nCCCCOCCCCCCCNNCOCCCCCCOCBrBr/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;w12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s23;s19;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20Br2N2O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.21 |
Area: | 600.078 |
Solvation: | -5.79196 |
Coulombic: | -33.7128 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 484.182 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.77 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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