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Chemical ID: 5860023
Chemical ID:
5860023
Name [?]:
N-[(2-allyloxy-5-bromo-phenyl)methyleneamino]-2-methoxy-benzamide
SMILES [?]:
COc1ccccc1C(=O)NN=Cc2cc(ccc2OCC=C)Br
InChi [?]:
InChI=1/C18H17BrN2O3/c1-3-10-24-16-9-8-14(19)11-13(16)12-20-21-18(22)15-6-4-5-7-17(15)23-2/h3-9,11-12H,1,10H2,2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:23,1,22,6,5,7,4,17,18,21,15,13,14,16,8,19,3,9,24,12,11,10,2,20/rA:24nCOCCCCCCCONNCCCCCCCOCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;d22;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17BrN2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.66098 |
Area: | 546.906 |
Solvation: | -6.01166 |
Coulombic: | -35.2482 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 389.243 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.24 |
LogP (Chemaxon): | 4.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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