Chemical ID: 4569586

Cc1ccc(cc1)S(=O)(=O)NC(C)C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCC4
Chemical ID:
4569586
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NC(C)C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCC4
InChi [?]:
InChI=1/C23H23NO6S/c1-13-7-9-16(10-8-13)31(27,28)24-15(3)22(25)29-20-12-11-18-17-5-4-6-19(17)23(26)30-21(18)14(20)2/h7-12,15,24H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,13,30,31,29,3,7,4,6,19,18,2,27,12,5,21,20,22,17,26,14,23,11,15,24,9,10,16,25,8/E:(7,8)(9,10)(27,28)/CRV:31.6/rA:31cCCCCCCCSOONCCCOOCCCCCCCOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s12;d14;s14;s16;s17;d18;s19;s20;d21;s22;d23;s23;d20s25;d17s26;s27;s22;s29;s21s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23NO6S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.1327
Area:642.317
Solvation:-3.92526
Coulombic:-50.5457
Bond Count [?]
All:34
Single:23
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:441.498
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.6
LogP (Chemaxon):4.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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