Chemical ID: 5795965

COc1ccc(cc1C=NNC(=O)CNC(=O)c2ccc(cc2)Cl)Br
Chemical ID:
5795965
Name [?]:
N-[(5-bromo-2-methoxy-phenyl)methyleneaminocarbamoylmethyl]-4-chloro-benzamide
SMILES [?]:
COc1ccc(cc1C=NNC(=O)CNC(=O)c2ccc(cc2)Cl)Br
InChi [?]:
InChI=1/C17H15BrClN3O3/c1-25-15-7-4-13(18)8-12(15)9-21-22-16(23)10-20-17(24)11-2-5-14(19)6-3-11/h2-9H,10H2,1H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,19,23,5,20,22,4,7,9,14,18,8,6,21,3,12,16,25,24,15,10,11,13,17,2/E:(2,3)(5,6)/rA:25nCOCCCCCCCNNCOCNCOCCCCCCClBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15BrClN3O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.1125
Area:601.763
Solvation:-4.93157
Coulombic:-48.5433
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:424.676
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.5
LogP (Chemaxon):3.22

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