Chemical ID: 7038253

CC(C)Oc1ccc(cc1OC)C(NC(=O)c2cccc(c2)OC)NC(=O)c3cccc(c3)OC
Chemical ID:
7038253
Name [?]:
N-[(4-isopropoxy-3-methoxy-phenyl)-(3-methoxybenzoyl)amino-methyl]-3-methoxy-benzamide
SMILES [?]:
CC(C)Oc1ccc(cc1OC)C(NC(=O)c2cccc(c2)OC)NC(=O)c3cccc(c3)OC
InChi [?]:
InChI=1/C27H30N2O6/c1-17(2)35-23-13-12-18(16-24(23)34-5)25(28-26(30)19-8-6-10-21(14-19)32-3)29-27(31)20-9-7-11-22(15-20)33-4/h6-17,25H,1-5H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,3,24,35,12,19,30,18,29,20,31,7,6,22,33,9,2,8,17,28,21,32,5,10,13,15,26,14,25,16,27,23,34,11,4/E:(1,2)(3,4)(6,7)(8,9)(10,11)(14,15)(19,20)(21,22)(26,27)(28,29)(30,31)(32,33)/gE:(1,2)/rA:35nCCCOCCCCCCOCCNCOCCCCCCOCNCOCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s13;s25;d26;s26;s28;d29;s30;d31;d28s32;s32;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30N2O6
All Atoms:65
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:8.96897
Area:741.473
Solvation:-9.56785
Coulombic:-72.0134
Bond Count [?]
All:37
Single:26
Double:11
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:478.537
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:4.87
LogP (Chemaxon):3.57

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Descriptor Annotations

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