Chemical ID: 4569186

Cc1ccc(cc1)S(=O)(=O)NCCCC(=O)Oc2ccc3c(c(c(=O)oc3c2C)C)C
Chemical ID:
4569186
Name [?]:
(3,4,8-trimethyl-2-oxo-chromen-7-yl) 4-(p-tolylsulfonylamino)butanoate
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NCCCC(=O)Oc2ccc3c(c(c(=O)oc3c2C)C)C
InChi [?]:
InChI=1/C23H25NO6S/c1-14-7-9-18(10-8-14)31(27,28)24-13-5-6-21(25)29-20-12-11-19-15(2)16(3)23(26)30-22(19)17(20)4/h7-12,24H,5-6,13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,30,29,13,14,3,7,4,6,20,19,12,2,22,23,28,5,21,18,15,27,24,11,16,25,9,10,17,26,8/E:(7,8)(9,10)(27,28)/CRV:31.6/rA:31nCCCCCCCSOONCCCCOOCCCCCCCOOCCCCC/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;s28;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25NO6S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.6048
Area:680.957
Solvation:-4.41912
Coulombic:-48.8243
Bond Count [?]
All:33
Single:22
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:443.514
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.57
LogP (Chemaxon):4.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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