Chemical ID: 4893312

CCCC(C(=O)Oc1cc(cc2c1c3c(c(=O)o2)CCC3)C)NS(=O)(=O)c4ccc(cc4)C
Chemical ID:
4893312
Name [?]:
None
SMILES [?]:
CCCC(C(=O)Oc1cc(cc2c1c3c(c(=O)o2)CCC3)C)NS(=O)(=O)c4ccc(cc4)C
InChi [?]:
InChI=1/C25H27NO6S/c1-4-6-20(26-33(29,30)17-11-9-15(2)10-12-17)25(28)32-22-14-16(3)13-21-23(22)18-7-5-8-19(18)24(27)31-21/h9-14,20,26H,4-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,22,2,20,3,21,19,29,31,28,32,11,9,30,10,27,14,15,4,12,8,13,16,5,23,17,6,25,26,18,7,24/E:(9,10)(11,12)(29,30)/CRV:33.6/rA:33cCCCCCOOCCCCCCCCCOOCCCCNSOOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;d14;s15;d16;s12s16;s15;s19;s14s20;s10;s4;s23;d24;d24;s24;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27NO6S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:12.8866
Area:673.977
Solvation:-3.9628
Coulombic:-51.2766
Bond Count [?]
All:36
Single:25
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:469.551
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.74
LogP (Chemaxon):5.41

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue