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Chemical ID: 7358345
Chemical ID:
7358345
Name [?]:
None
SMILES [?]:
CSc1nc2ccc(cc2s1)Nc3c4c5c(sc4ncn3)CCCCC5
InChi [?]:
InChI=1/C19H18N4S3/c1-24-19-23-13-8-7-11(9-15(13)26-19)22-17-16-12-5-3-2-4-6-14(12)25-18(16)21-10-20-17/h7-10H,2-6H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,25,23,26,22,7,6,9,20,8,15,5,16,10,14,13,18,3,21,19,12,4,2,17,11/rA:26nCSCNCCCCCCSNCCCCSCNCNCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s8;s12;s13;s14;d15;s16;d14s17;s18;d19;d13s20;s16;s22;s23;s24;s15s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N4S3 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8165 |
Area: | 580.255 |
Solvation: | -1.68988 |
Coulombic: | -30.1305 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 398.571 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.76 |
LogP (Chemaxon): | 6.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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