Chemical ID: 4568073

CCCc1cc(=O)oc2c1ccc(c2)OC(=O)CCCCCNS(=O)(=O)c3ccc(cc3)C
Chemical ID:
4568073
Name [?]:
(2-oxo-4-propyl-chromen-7-yl) 6-(p-tolylsulfonylamino)hexanoate
SMILES [?]:
CCCc1cc(=O)oc2c1ccc(c2)OC(=O)CCCCCNS(=O)(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C25H29NO6S/c1-3-7-19-16-25(28)32-23-17-20(11-14-22(19)23)31-24(27)8-5-4-6-15-26-33(29,30)21-12-9-18(2)10-13-21/h9-14,16-17,26H,3-8,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,2,20,19,21,3,18,29,31,12,28,32,11,22,5,14,30,4,13,27,10,9,16,6,23,17,7,25,26,15,8,24/E:(9,10)(12,13)(29,30)/CRV:33.6/rA:33nCCCCCCOOCCCCCCOCOCCCCCNSOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s4s9;d10;s11;d12;d9s13;s13;s15;d16;s16;s18;s19;s20;s21;s22;s23;d24;d24;s24;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29NO6S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:14.2995
Area:753.6
Solvation:-4.54054
Coulombic:-49.8175
Bond Count [?]
All:35
Single:24
Double:11
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:471.567
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.95
LogP (Chemaxon):5.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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