Chemical ID: 7710905

CC1=C(C(n2c(nc(n2)c3cccs3)N1)c4cccc(c4)O)C(=O)Nc5ccccc5OC
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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