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Chemical ID: 5609153
Chemical ID:
5609153
Name [?]:
None
SMILES [?]:
CCNC(=O)NC(=O)C(C)Sc1[nH]c(=O)c2c3c(sc2n1)CCCC3
InChi [?]:
InChI=1/C16H20N4O3S2/c1-3-17-15(23)18-12(21)8(2)24-16-19-13(22)11-9-6-4-5-7-10(9)25-14(11)20-16/h8H,3-7H2,1-2H3,(H,19,20,22)(H2,17,18,21,23)
InChi Info:
AuxInfo=1/1/N:1,10,2,24,23,25,22,9,17,18,16,7,14,20,4,12,3,6,13,21,8,15,5,11,19/rA:25cCCNCONCOCCSCNCOCCCSCNCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;s9;s11;s12;s13;d14;s14;s16;d17;s18;d16s19;d12s20;s18;s22;s23;s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N4O3S2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1483 |
Area: | 577.215 |
Solvation: | -4.28207 |
Coulombic: | -68.5528 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 380.487 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.88 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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