Chemical ID: 7020870

Cc1ccc2c(c1)C(=NNC(=O)CCCNC(=O)c3ccccc3Br)C(=O)N2
Chemical ID:
7020870
Name [?]:
2-bromo-N-[3-[(5-methyl-2-oxo-indolin-3-ylidene)aminocarbamoyl]propyl]benzamide
SMILES [?]:
Cc1ccc2c(c1)C(=NNC(=O)CCCNC(=O)c3ccccc3Br)C(=O)N2
InChi [?]:
InChI=1/C20H19BrN4O3/c1-12-8-9-16-14(11-12)18(20(28)23-16)25-24-17(26)7-4-10-22-19(27)13-5-2-3-6-15(13)21/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,22,27)(H,24,26)(H,23,25,28)
InChi Info:
AuxInfo=1/1/N:1,21,22,14,20,23,13,3,4,15,7,2,19,6,24,5,11,8,17,26,25,16,28,10,9,12,18,27/rA:28nCCCCCCCCNNCOCCCNCOCCCCCCBrCON/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;s13;s14;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s8;d26;s5s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19BrN4O3
All Atoms:47
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.6103
Area:638.196
Solvation:-4.34455
Coulombic:-62.9808
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:443.294
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:3.78
LogP (Chemaxon):3.25

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