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Chemical ID: 7020849
Chemical ID:
7020849
Name [?]:
2-bromo-N-[3-[(5-chloro-2-oxo-indolin-3-ylidene)aminocarbamoyl]propyl]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCCCC(=O)NN=C2c3cc(ccc3NC2=O)Cl)Br
InChi [?]:
InChI=1/C19H16BrClN4O3/c20-14-5-2-1-4-12(14)18(27)22-9-3-6-16(26)24-25-17-13-10-11(21)7-8-15(13)23-19(17)28/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,27)(H,24,26)(H,23,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,11,6,3,12,21,22,10,19,20,5,18,4,23,13,17,7,25,28,27,9,24,15,16,14,8,26/rA:28nCCCCCCCONCCCCONNCCCCCCCNCOClBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s17s24;d25;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16BrClN4O3 |
All Atoms: | 44 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9155 |
Area: | 656.677 |
Solvation: | -4.50144 |
Coulombic: | -62.8457 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 463.712 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 3.97 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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