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Chemical ID: 6408456
Chemical ID:
6408456
Name [?]:
2-(3-bromophenoxy)-N-[(3-ethoxy-4-hydroxy-phenyl)methyleneamino]propanamide
SMILES [?]:
CCOc1cc(ccc1O)C=NNC(=O)C(C)Oc2cccc(c2)Br
InChi [?]:
InChI=1/C18H19BrN2O4/c1-3-24-17-9-13(7-8-16(17)22)11-20-21-18(23)12(2)25-15-6-4-5-14(19)10-15/h4-12,22H,3H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,17,2,21,22,20,7,8,5,24,11,16,6,23,19,9,4,14,25,12,13,10,15,3,18/rA:25cCCOCCCCCCOCNNCOCCOCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s14;s16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19BrN2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.28829 |
Area: | 583.15 |
Solvation: | -7.29045 |
Coulombic: | -49.6168 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 407.259 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.93 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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