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Chemical ID: 6276622
Chemical ID:
6276622
Name [?]:
None
SMILES [?]:
C#CCn1c2ccc(cc2sc1=NC(=O)c3cc4c5ccccc5ccc4oc3=O)S(=O)(=O)N
InChi [?]:
InChI=1/C24H15N3O5S2/c1-2-11-27-19-9-8-15(34(25,30)31)12-21(19)33-24(27)26-22(28)18-13-17-16-6-4-3-5-14(16)7-10-20(17)32-23(18)29/h1,3-10,12-13H,11H2,(H2,25,30,31)
InChi Info:
AuxInfo=1/1/N:1,2,22,21,23,20,25,7,6,26,3,9,17,24,8,19,18,16,5,27,10,14,29,12,34,13,4,15,30,32,33,28,11,31/E:(30,31)/CRV:34.6/rA:34nCCCNCCCCCCSCNCOCCCCCCCCCCCCOCOSOON/rB:t1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;w12;s13;d14;s14;d16;s17;s18;s19;d20;s21;d22;d19s23;s24;d25;d18s26;s27;s16s28;d29;s8;d31;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H15N3O5S2 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0013 |
Area: | 665.28 |
Solvation: | -5.63065 |
Coulombic: | -58.7934 |
Bond Count [?]
All: | 38 |
Single: | 23 |
Double: | 14 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 489.525 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.51 |
LogP (Chemaxon): | 4.6 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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