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Chemical ID: 6283418
Chemical ID:
6283418
Name [?]:
N-(4-chloro-3-methyl-benzothiazol-2-ylidene)-2-phenyl-quinoline-4-carboxamide
SMILES [?]:
Cn1c2c(cccc2Cl)sc1=NC(=O)c3cc(nc4c3cccc4)c5ccccc5
InChi [?]:
InChI=1/C24H16ClN3OS/c1-28-22-18(25)11-7-13-21(22)30-24(28)27-23(29)17-14-20(15-8-3-2-4-9-15)26-19-12-6-5-10-16(17)19/h2-14H,1H3
InChi Info:
AuxInfo=1/0/N:1,28,27,29,22,23,6,26,30,21,7,24,5,16,25,20,15,8,19,17,4,3,13,11,9,18,12,2,14,10/E:(3,4)(8,9)/rA:30nCNCCCCCCClSCNCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s4;s2s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;s17;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H16ClN3OS |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2909 |
Area: | 612.501 |
Solvation: | -2.02167 |
Coulombic: | -33.5071 |
Bond Count [?]
All: | 34 |
Single: | 21 |
Double: | 13 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 429.922 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.6 |
LogP (Chemaxon): | 7.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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