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Chemical ID: 7736116
Chemical ID:
7736116
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C21H19N3O5S/c1-14-2-4-16(5-3-14)23-21(25)15-10-17(13-22-12-15)24-30(26,27)18-6-7-19-20(11-18)29-9-8-28-19/h2-7,10-13,24H,8-9H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,22,23,29,28,12,26,16,14,2,11,5,13,21,24,25,9,15,8,17,10,19,20,30,27,18/E:(2,3)(4,5)(26,27)/CRV:30.6/rA:30nCCCCCCCNCOCCCCNCNSOOCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s13;s17;d18;d18;s18;s21;d22;s23;d24;d21s25;s25;s27;s28;s24s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19N3O5S |
All Atoms: | 49 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.5662 |
Area: | 624.515 |
Solvation: | -5.04665 |
Coulombic: | -53.036 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.49 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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