Chemical ID: 4569661

Cc1c(ccc2c1oc(=O)c3c2CCC3)OC(=O)C(Cc4ccccc4)NC(=O)OC(C)(C)C
Chemical ID:
4569661
Name [?]:
None
SMILES [?]:
Cc1c(ccc2c1oc(=O)c3c2CCC3)OC(=O)C(Cc4ccccc4)NC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C27H29NO6/c1-16-22(14-13-19-18-11-8-12-20(18)24(29)33-23(16)19)32-25(30)21(15-17-9-6-5-7-10-17)28-26(31)34-27(2,3)4/h5-7,9-10,13-14,21H,8,11-12,15H2,1-4H3,(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,32,33,34,24,23,25,14,22,26,13,15,5,4,20,2,21,12,6,11,19,3,7,9,17,28,31,27,10,18,29,16,8,30/E:(2,3,4)(6,7)(9,10)/rA:34cCCCCCCCOCOCCCCCOCOCCCCCCCCNCOOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s11s14;s3;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s19;s27;d28;s28;s30;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H29NO6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.0365
Area:669.16
Solvation:-3.6925
Coulombic:-72.9697
Bond Count [?]
All:37
Single:27
Double:10
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:463.522
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.92
LogP (Chemaxon):5.51

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