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Chemical ID: 7345966
Chemical ID:
7345966
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C4c5ccccc5C(=O)N4C(C3)C(=O)NCc6cccs6
InChi [?]:
InChI=1/C24H19N3O2S/c28-23(25-13-14-6-5-11-30-14)20-12-18-15-7-3-4-10-19(15)26-21(18)22-16-8-1-2-9-17(16)24(29)27(20)22/h1-11,20,22,26H,12-13H2,(H,25,28)
InChi Info:
AuxInfo=1/1/N:13,14,1,2,28,27,6,12,15,3,29,21,25,26,5,11,16,7,4,20,8,10,22,17,24,9,19,23,18,30/rA:30cCCCCCCCCNCCCCCCCCONCCCONCCCCCS/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s10s17;s19;s7s20;s20;d22;s22;s24;s25;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19N3O2S |
All Atoms: | 49 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.955 |
Area: | 616.044 |
Solvation: | -3.44608 |
Coulombic: | -52.5231 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 413.493 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.81 |
LogP (Chemaxon): | 3.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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