Chemical ID: 4569076

Cc1ccc(cc1)S(=O)(=O)NCCCC(=O)Oc2ccc3c(c(c(=O)oc3c2)C)C
Chemical ID:
4569076
Name [?]:
(3,4-dimethyl-2-oxo-chromen-7-yl) 4-(p-tolylsulfonylamino)butanoate
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NCCCC(=O)Oc2ccc3c(c(c(=O)oc3c2)C)C
InChi [?]:
InChI=1/C22H23NO6S/c1-14-6-9-18(10-7-14)30(26,27)23-12-4-5-21(24)28-17-8-11-19-15(2)16(3)22(25)29-20(19)13-17/h6-11,13,23H,4-5,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,29,13,14,3,7,19,4,6,20,12,28,2,22,23,18,5,21,27,15,24,11,16,25,9,10,17,26,8/E:(6,7)(9,10)(26,27)/CRV:30.6/rA:30nCCCCCCCSOONCCCCOOCCCCCCCOOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;d15;s15;s17;s18;d19;s20;s21;d22;s23;d24;s24;d21s26;d18s27;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23NO6S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.2288
Area:668.876
Solvation:-4.49311
Coulombic:-48.6427
Bond Count [?]
All:32
Single:21
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:429.487
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.34
LogP (Chemaxon):4.08

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Descriptor Annotations

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