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Chemical ID: 6621828
Chemical ID:
6621828
Name [?]:
None
SMILES [?]:
Cc1nc2c(c3c(s2)CCCC3)c(=O)n1C(=S)N=Cc4ccccc4
InChi [?]:
InChI=1/C19H17N3OS2/c1-12-21-17-16(14-9-5-6-10-15(14)25-17)18(23)22(12)19(24)20-11-13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,24,11,10,21,25,12,9,19,2,20,6,7,5,4,13,16,18,3,15,14,17,8/E:(3,4)(7,8)/rA:25nCCNCCCCSCCCCCONCSNCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s4s7;s7;s9;s10;s6s11;s5;d13;s2s13;s15;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N3OS2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3255 |
Area: | 515.936 |
Solvation: | -1.57286 |
Coulombic: | -30.5974 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 367.49 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.21 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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