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Chemical ID: 7736114
Chemical ID:
7736114
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C22H23N3O5S/c1-4-15-5-7-17(8-6-15)24-22(26)16-11-18(14-23-13-16)25-31(27,28)19-9-10-20(29-2)21(12-19)30-3/h5-14,25H,4H2,1-3H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,31,29,2,4,8,5,7,23,24,13,27,17,15,3,12,6,14,22,25,26,10,16,9,18,11,20,21,30,28,19/E:(5,6)(7,8)(27,28)/CRV:31.6/rA:31nCCCCCCCCNCOCCCCNCNSOOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s14;s18;d19;d19;s19;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N3O5S |
All Atoms: | 54 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.71559 |
Area: | 655.845 |
Solvation: | -6.68052 |
Coulombic: | -50.9926 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.9 |
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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