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Chemical ID: 7308151
Chemical ID:
7308151
Name [?]:
N-(2-fluorophenyl)-2-[7-(4-fluorophenyl)-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]-acetamide
SMILES [?]:
c1ccc(c(c1)NC(=O)Cn2cnc3c(c2=O)c(cs3)c4ccc(cc4)F)F
InChi [?]:
InChI=1/C20H13F2N3O2S/c21-13-7-5-12(6-8-13)14-10-28-19-18(14)20(27)25(11-23-19)9-17(26)24-16-4-2-1-3-15(16)22/h1-8,10-11H,9H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,22,26,23,25,10,19,12,21,24,18,4,5,8,15,14,16,27,28,13,7,11,9,17,20/E:(5,6)(7,8)/rA:28nCCCCCCNCOCNCNCCCOCCSCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;s11s15;d16;s15;d18;s14s19;s18;s21;d22;s23;d24;d21s25;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13F2N3O2S |
All Atoms: | 41 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18052 |
Area: | 563.241 |
Solvation: | -4.9005 |
Coulombic: | -51.1413 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 397.399 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.11 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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