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Chemical ID: 7743578
Chemical ID:
7743578
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)C(CNC(=O)C(=O)NCCc2ccc(cc2)Cl)c3cccs3
InChi [?]:
InChI=1/C23H23ClN2O4S2/c1-16-4-10-19(11-5-16)32(29,30)21(20-3-2-14-31-20)15-26-23(28)22(27)25-13-12-17-6-8-18(24)9-7-17/h2-11,14,21H,12-13,15H2,1H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,30,29,3,7,22,26,23,25,4,6,20,19,31,12,2,21,24,5,28,11,16,14,27,18,13,17,15,9,10,32,8/E:(4,5)(6,7)(8,9)(10,11)(29,30)/CRV:32.6/rA:32cCCCCCCCSOOCCNCOCONCCCCCCCCClCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;d14;s14;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;s24;s11;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23ClN2O4S2 |
All Atoms: | 55 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 14.0919 |
Area: | 726.41 |
Solvation: | -4.06838 |
Coulombic: | -53.6741 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.53 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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