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Chemical ID: 7037991
Chemical ID:
7037991
Name [?]:
N-[(4-isopropoxy-3-methoxy-phenyl)-(4-methoxybenzoyl)amino-methyl]-4-methoxy-benzamide
SMILES [?]:
CC(C)Oc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)OC)NC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C27H30N2O6/c1-17(2)35-23-15-10-20(16-24(23)34-5)25(28-26(30)18-6-11-21(32-3)12-7-18)29-27(31)19-8-13-22(33-4)14-9-19/h6-17,25H,1-5H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,3,24,35,12,18,22,29,33,7,19,21,30,32,6,9,2,17,28,8,20,31,5,10,13,15,26,14,25,16,27,23,34,11,4/E:(1,2)(3,4)(6,7,8,9)(11,12,13,14)(18,19)(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;s20;s23;s13;s25;d26;s26;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H30N2O6 |
All Atoms: | 65 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.34309 |
Area: | 743.121 |
Solvation: | -9.23495 |
Coulombic: | -72.4379 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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