Chemical ID: 6194918

c1ccc(c(c1)C(=O)NCC(=O)NN=C2c3cc(ccc3NC2=O)Cl)Br
Chemical ID:
6194918
Name [?]:
2-bromo-N-[(5-chloro-2-oxo-indolin-3-ylidene)aminocarbamoylmethyl]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCC(=O)NN=C2c3cc(ccc3NC2=O)Cl)Br
InChi [?]:
InChI=1/C17H12BrClN4O3/c18-12-4-2-1-3-10(12)16(25)20-8-14(24)22-23-15-11-7-9(19)5-6-13(11)21-17(15)26/h1-7H,8H2,(H,20,25)(H,22,24)(H,21,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,19,20,17,10,18,5,16,4,21,11,15,7,23,26,25,9,22,13,14,12,8,24/rA:26nCCCCCCCONCCONNCCCCCCCNCOClBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s15s22;d23;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12BrClN4O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.88715
Area:599.391
Solvation:-5.09763
Coulombic:-62.2126
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:435.659
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:3.45
LogP (Chemaxon):2.87

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