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Chemical ID: 6194918
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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