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Chemical ID: 7660073
Chemical ID:
7660073
Name [?]:
None
SMILES [?]:
c1ccc(cc1)Cc2nnc(n2Cc3ccccc3)SCC(=O)N
InChi [?]:
InChI=1/C18H18N4OS/c19-16(23)13-24-18-21-20-17(11-14-7-3-1-4-8-14)22(18)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,19,23)
InChi Info:
AuxInfo=1/1/N:1,17,2,6,16,18,3,5,15,19,7,13,21,4,14,22,8,11,24,9,10,12,23,20/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCCCCCCCNNCNCCCCCCCSCCON/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;s12;s13;s14;d15;s16;d17;d14s18;s11;s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N4OS |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3948 |
Area: | 548.127 |
Solvation: | -3.30835 |
Coulombic: | -38.8437 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.97 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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