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Chemical ID: 7038253
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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