Chemical ID: 6408456

CCOc1cc(ccc1O)C=NNC(=O)C(C)Oc2cccc(c2)Br
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

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