Chemical ID: 6171003

COc1ccc(cc1C(=O)NN=Cc2ccc(cc2)OCC(=O)N)Br
Chemical ID:
6171003
Name [?]:
5-bromo-N-[[4-(carbamoylmethoxy)phenyl]methyleneamino]-2-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1C(=O)NN=Cc2ccc(cc2)OCC(=O)N)Br
InChi [?]:
InChI=1/C17H16BrN3O4/c1-24-15-7-4-12(18)8-14(15)17(23)21-20-9-11-2-5-13(6-3-11)25-10-16(19)22/h2-9H,10H2,1H3,(H2,19,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,15,19,5,16,18,4,7,13,21,14,6,17,8,3,22,9,25,24,12,11,23,10,2,20/E:(2,3)(5,6)/rA:25nCOCCCCCCCONNCCCCCCCOCCONBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16BrN3O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:5.74609
Area:564.833
Solvation:-8.37474
Coulombic:-56.453
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:406.231
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:3.28
LogP (Chemaxon):2.21

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