Chemical ID: 4570218

Cc1ccc(cc1)S(=O)(=O)NC(C)C(=O)Oc2ccc3c(c2)oc(=O)c4c3CCC4
Chemical ID:
4570218
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NC(C)C(=O)Oc2ccc3c(c2)oc(=O)c4c3CCC4
InChi [?]:
InChI=1/C22H21NO6S/c1-13-6-9-16(10-7-13)30(26,27)23-14(2)21(24)28-15-8-11-18-17-4-3-5-19(17)22(25)29-20(18)12-15/h6-12,14,23H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,29,28,30,3,7,18,4,6,19,22,2,12,17,5,27,20,26,21,14,24,11,15,25,9,10,16,23,8/E:(6,7)(9,10)(26,27)/CRV:30.6/rA:30cCCCCCCCSOONCCCOOCCCCCCOCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s23;d24;s24;s20d26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21NO6S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.8003
Area:633.21
Solvation:-4.03
Coulombic:-50.325
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:427.471
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.37
LogP (Chemaxon):4.08

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Descriptor Annotations

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