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Chemical ID: 6989145
Chemical ID:
6989145
Name [?]:
N-[(2-benzyloxyphenyl)methyleneamino]-2-(4-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)OCC(=O)NN=Cc2ccccc2OCc3ccccc3
InChi [?]:
InChI=1/C25H26N2O3/c1-19(2)21-12-14-23(15-13-21)29-18-25(28)27-26-16-22-10-6-7-11-24(22)30-17-20-8-4-3-5-9-20/h3-16,19H,17-18H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,3,28,27,29,19,20,26,30,18,21,5,9,6,8,16,24,11,2,25,4,17,7,22,12,15,14,13,10,23/E:(1,2)(4,5)(8,9)(12,13)(14,15)/rA:30nCCCCCCCCCOCCONNCCCCCCCOCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O3 |
All Atoms: | 56 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.14368 |
Area: | 657.001 |
Solvation: | -8.28135 |
Coulombic: | -33.929 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 402.486 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.71 |
LogP (Chemaxon): | 5.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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