Chemical ID: 7020845

CN1c2ccccc2C(=NNC(=O)CCCNC(=O)c3ccccc3Br)C1=O
Chemical ID:
7020845
Name [?]:
2-bromo-N-[3-[(1-methyl-2-oxo-indolin-3-ylidene)aminocarbamoyl]propyl]benzamide
SMILES [?]:
CN1c2ccccc2C(=NNC(=O)CCCNC(=O)c3ccccc3Br)C1=O
InChi [?]:
InChI=1/C20H19BrN4O3/c1-25-16-10-5-3-8-14(16)18(20(25)28)24-23-17(26)11-6-12-22-19(27)13-7-2-4-9-15(13)21/h2-5,7-10H,6,11-12H2,1H3,(H,22,27)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,22,6,23,5,15,21,7,24,4,14,16,20,8,25,3,12,9,18,27,26,17,11,10,2,13,19,28/rA:28nCNCCCCCCCNNCOCCCNCOCCCCCCBrCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;s14;s15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s2s9;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19BrN4O3
All Atoms:47
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.65
Area:641.717
Solvation:-4.39296
Coulombic:-58.953
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:443.294
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.49
LogP (Chemaxon):2.55

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