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Chemical ID: 7722230
Chemical ID:
7722230
Name [?]:
None
SMILES [?]:
CC(=O)Nc1ccc(cc1)N2C(=O)C(=C3c4cc(ccc4NC3=O)F)SC2=S
InChi [?]:
InChI=1/C19H12FN3O3S2/c1-9(24)21-11-3-5-12(6-4-11)23-18(26)16(28-19(23)27)15-13-8-10(20)2-7-14(13)22-17(15)25/h2-8H,1H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,19,6,10,7,9,20,17,2,18,5,8,16,21,15,14,23,12,27,25,4,22,11,3,24,13,28,26/E:(3,4)(5,6)/rA:28nCCONCCCCCCNCOCCCCCCCCNCOFSCS/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s15s22;d23;s18;s14;s11s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H12FN3O3S2 |
All Atoms: | 40 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.011 |
Area: | 583.578 |
Solvation: | -4.57846 |
Coulombic: | -60.3457 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.68 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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