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Chemical ID: 7681921
Chemical ID:
7681921
Name [?]:
None
SMILES [?]:
CC(C)Oc1cccc(c1)C2C(=C(N(C3=C2S(=O)(=O)CC3)c4ccc(cc4)OC)N)C#N
InChi [?]:
InChI=1/C24H25N3O4S/c1-15(2)31-19-6-4-5-16(13-19)22-20(14-25)24(26)27(17-7-9-18(30-3)10-8-17)21-11-12-32(28,29)23(21)22/h4-10,13,15,22H,11-12,26H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,29,7,8,6,23,27,24,26,21,20,10,31,2,9,22,25,5,12,15,11,16,13,32,30,14,18,19,28,4,17/E:(1,2)(7,8)(9,10)(28,29)/CRV:32.6/rA:32cCCCOCCCCCCCCCNCCSOOCCCCCCCCOCNCN/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s13;s14;s11d15;s16;d17;d17;s17;s15s20;s14;s22;d23;s24;d25;d22s26;s25;s28;s13;s12;t31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25N3O4S |
All Atoms: | 57 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.86505 |
Area: | 642.67 |
Solvation: | -6.20172 |
Coulombic: | -41.4011 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 10 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.9 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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