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Chemical ID: 7695350
Chemical ID:
7695350
Name [?]:
None
SMILES [?]:
Cc1cc(cc(c1)N=C2NC(=O)C(=Cc3ccccc3)S2)C
InChi [?]:
InChI=1/C18H16N2OS/c1-12-8-13(2)10-15(9-12)19-18-20-17(21)16(22-18)11-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,18,17,19,16,20,3,7,5,14,2,4,15,6,13,11,9,8,10,12,21/E:(1,2)(4,5)(6,7)(9,10)(12,13)/rA:22nCCCCCCCNCNCOCCCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s9s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2OS |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7478 |
Area: | 502.142 |
Solvation: | -1.80575 |
Coulombic: | -30.511 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
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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