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Chemical ID: 7736092
Chemical ID:
7736092
Name [?]:
None
SMILES [?]:
Cc1cccc(c1C)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C21H21N3O4S/c1-14-5-4-6-20(15(14)2)23-21(25)16-11-17(13-22-12-16)24-29(26,27)19-9-7-18(28-3)8-10-19/h4-13,24H,1-3H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,8,29,4,3,5,24,26,23,27,13,17,15,2,7,12,14,25,22,6,10,16,9,18,11,20,21,28,19/E:(7,8)(9,10)(26,27)/CRV:29.6/rA:29nCCCCCCCCNCOCCCCNCNSOOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s14;s18;d19;d19;s19;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21N3O4S |
All Atoms: | 50 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7593 |
Area: | 618.761 |
Solvation: | -4.70972 |
Coulombic: | -44.6982 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.01 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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