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Chemical ID: 6970653
Chemical ID:
6970653
Name [?]:
3-bromo-N-[(2-ethoxyphenyl)methyleneamino]-4-methyl-benzamide
SMILES [?]:
CCOc1ccccc1C=NNC(=O)c2ccc(c(c2)Br)C
InChi [?]:
InChI=1/C17H17BrN2O2/c1-3-22-16-7-5-4-6-14(16)11-19-20-17(21)13-9-8-12(2)15(18)10-13/h4-11H,3H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,7,6,8,5,17,16,20,10,18,15,9,19,4,13,21,11,12,14,3/rA:22nCCOCCCCCCCNNCOCCCCCCBrC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17BrN2O2 |
All Atoms: | 39 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.9538 |
Area: | 523.003 |
Solvation: | -5.12127 |
Coulombic: | -26.3402 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 361.233 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.36 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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