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Chemical ID: 7710905
Chemical ID:
7710905
Name [?]:
None
SMILES [?]:
CC1=C(C(n2c(nc(n2)c3cccs3)N1)c4cccc(c4)O)C(=O)Nc5ccccc5OC
InChi [?]:
InChI=1/C24H21N5O3S/c1-14-20(23(31)26-17-9-3-4-10-18(17)32-2)21(15-7-5-8-16(30)13-15)29-24(25-14)27-22(28-29)19-11-6-12-33-19/h3-13,21,30H,1-2H3,(H,26,31)(H,25,27,28)
InChi Info:
AuxInfo=1/1/N:1,33,28,29,18,12,17,19,27,30,11,13,21,2,16,20,26,31,10,3,4,8,23,6,15,25,7,9,5,22,24,32,14/rA:33cCCCCNCNCNCCCCSNCCCCCCOCONCCCCCCOC/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s8;d10;s11;d12;s10s13;s2s6;s4;s16;d17;s18;d19;d16s20;s20;s3;d23;s23;s25;s26;d27;s28;d29;d26s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21N5O3S |
All Atoms: | 54 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.044 |
Area: | 664.643 |
Solvation: | -4.57205 |
Coulombic: | -71.1683 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.65 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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