Chemical ID: 6182213

COc1ccc(cc1OC)C(=O)NCC(=O)NN=Cc2ccc(cc2)Br
Chemical ID:
6182213
Name [?]:
N-[(4-bromophenyl)methyleneaminocarbamoylmethyl]-3,4-dimethoxy-benzamide
SMILES [?]:
COc1ccc(cc1OC)C(=O)NCC(=O)NN=Cc2ccc(cc2)Br
InChi [?]:
InChI=1/C18H18BrN3O4/c1-25-15-8-5-13(9-16(15)26-2)18(24)20-11-17(23)22-21-10-12-3-6-14(19)7-4-12/h3-10H,11H2,1-2H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,21,25,5,22,24,4,7,19,14,20,6,23,3,8,15,11,26,13,18,17,16,12,2,9/E:(3,4)(6,7)/rA:26nCOCCCCCCOCCONCCONNCCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18BrN3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.94328
Area:607.906
Solvation:-7.25436
Coulombic:-54.0004
Bond Count [?]
All:27
Single:18
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:420.257
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.53
LogP (Chemaxon):2.45

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