Chemical ID: 4562015

COc1cc(cc(c1OC)OC)C2C3=C(CC(CC3=O)c4ccccc4)Nc5ccccc5N2C(=O)CCC(=O)O
Chemical ID:
4562015
Name [?]:
None
SMILES [?]:
COc1cc(cc(c1OC)OC)C2C3=C(CC(CC3=O)c4ccccc4)Nc5ccccc5N2C(=O)CCC(=O)O
InChi [?]:
InChI=1/C32H32N2O7/c1-39-26-17-21(18-27(40-2)32(26)41-3)31-30-23(15-20(16-25(30)35)19-9-5-4-6-10-19)33-22-11-7-8-12-24(22)34(31)28(36)13-14-29(37)38/h4-12,17-18,20,31,33H,13-16H2,1-3H3,(H,37,38)
InChi Info:
AuxInfo=1/1/N:1,12,10,24,23,25,30,31,22,26,29,32,37,38,16,18,4,6,21,17,5,28,15,33,19,3,7,35,39,14,13,8,27,34,20,36,40,41,2,11,9/E:(1,2)(5,6)(9,10)(17,18)(26,27)(37,38)(39,40)/rA:41cCOCCCCCCOCOCCCCCCCCOCCCCCCNCCCCCCNCOCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;s13;d14;s15;s16;s17;s14s18;d19;s17;s21;d22;s23;d24;d21s25;s15;s27;s28;d29;s30;d31;d28s32;s13s33;s34;d35;s35;s37;s38;d39;s39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H32N2O7
All Atoms:41
Heavy Atoms:41
Chiral Atoms:2
ZAP Information [?]
Total:10.0942
Area:762.858
Solvation:-8.97723
Coulombic:-81.7511
Bond Count [?]
All:45
Single:32
Double:13
Rotors:9
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:556.606
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:2.81
LogP (Chemaxon):3.04

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Descriptor Annotations

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