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Chemical ID: 6430609
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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