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Chemical ID: 7723809
Chemical ID:
7723809
Name [?]:
None
SMILES [?]:
C=CCn1c2ccc3ccccc3c2sc1=NC(=O)c4cccc(c4)N5C(=O)CCC5=O
InChi [?]:
InChI=1/C25H19N3O3S/c1-2-14-27-20-11-10-16-6-3-4-9-19(16)23(20)32-25(27)26-24(31)17-7-5-8-18(15-17)28-21(29)12-13-22(28)30/h2-11,15H,1,12-14H2
InChi Info:
AuxInfo=1/0/N:1,2,10,11,22,9,21,23,12,7,6,29,30,3,25,8,20,24,13,5,27,31,14,18,16,17,4,26,28,32,19,15/E:(12,13)(21,22)(29,30)/rA:32nCCCNCCCCCCCCCCSCNCOCCCCCCNCOCCCO/rB:d1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;d8s12;d5s13;s14;s4s15;w16;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;d27;s27;s29;s26s30;d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H19N3O3S |
All Atoms: | 51 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.1342 |
Area: | 658.629 |
Solvation: | -4.33148 |
Coulombic: | -49.2414 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.44 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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