Chemical ID: 5844460

COc1cc(cc(c1OC)OC)C(=O)Oc2ccc(cc2)C=NNC(=O)Cc3ccccc3
Chemical ID:
5844460
Name [?]:
[4-[(2-phenylacetyl)aminoiminomethyl]phenyl] 3,4,5-trimethoxybenzoate
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)Oc2ccc(cc2)C=NNC(=O)Cc3ccccc3
InChi [?]:
InChI=1/C25H24N2O6/c1-30-21-14-19(15-22(31-2)24(21)32-3)25(29)33-20-11-9-18(10-12-20)16-26-27-23(28)13-17-7-5-4-6-8-17/h4-12,14-16H,13H2,1-3H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,12,10,31,30,32,29,33,18,20,17,21,27,4,6,22,28,19,5,16,3,7,25,8,13,23,24,26,14,2,11,9,15/E:(1,2)(5,6)(7,8)(9,10)(11,12)(14,15)(21,22)(30,31)/rA:33nCOCCCCCCOCOCCOOCCCCCCCNNCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;w22;s23;s24;d25;s25;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H24N2O6
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:8.67198
Area:711.438
Solvation:-9.11398
Coulombic:-58.8782
Bond Count [?]
All:35
Single:23
Double:12
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:448.468
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.65
LogP (Chemaxon):3.83

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Experimental Annotations

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Descriptor Annotations

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