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Chemical ID: 7697684
Chemical ID:
7697684
Name [?]:
None
SMILES [?]:
c1ccc(cc1)N(c2ccccc2)C(=O)CSc3ccccc3N
InChi [?]:
InChI=1/C20H18N2OS/c21-18-13-7-8-14-19(18)24-15-20(23)22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15,21H2
InChi Info:
AuxInfo=1/0/N:1,11,2,6,10,12,21,20,3,5,9,13,22,19,16,4,8,23,18,14,24,7,15,17/E:(1,2)(3,4,5,6)(9,10,11,12)(16,17)/rA:24nCCCCCCNCCCCCCCOCSCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2OS |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6552 |
Area: | 545.664 |
Solvation: | -2.98634 |
Coulombic: | -35.4462 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.13 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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