Chemical ID: 6430609

CCOC(=O)c1c(csc1NC(=O)CSc2nnc3n2c4cccc(c4cc3)C)c5ccc(cc5)F
Chemical ID:
6430609
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(csc1NC(=O)CSc2nnc3n2c4cccc(c4cc3)C)c5ccc(cc5)F
InChi [?]:
InChI=1/C26H21FN4O3S2/c1-3-34-25(33)23-19(16-7-9-17(27)10-8-16)13-35-24(23)28-22(32)14-36-26-30-29-21-12-11-18-15(2)5-4-6-20(18)31(21)26/h4-13H,3,14H2,1-2H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,29,2,23,24,22,31,35,32,34,27,28,8,14,25,30,33,26,7,21,19,12,6,10,4,16,36,11,18,17,20,13,5,3,9,15/E:(7,8)(9,10)/rA:36nCCOCOCCCSCNCOCSCNNCNCCCCCCCCCCCCCCCF/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;s16s19;s20;s21;d22;s23;d24;d21s25;s26;s19d27;s25;s7;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H21FN4O3S2
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:13.5555
Area:738.849
Solvation:-4.91569
Coulombic:-56.4379
Bond Count [?]
All:40
Single:27
Double:13
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:520.601
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.94
LogP (Chemaxon):6.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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