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Chemical ID: 6925429
Chemical ID:
6925429
Name [?]:
N-[1-(4-benzyloxy-3-methoxy-phenyl)ethylideneamino]-2-indan-5-yloxy-acetamide
SMILES [?]:
CC(=NNC(=O)COc1ccc2c(c1)CCC2)c3ccc(c(c3)OC)OCc4ccccc4
InChi [?]:
InChI=1/C27H28N2O4/c1-19(28-29-27(30)18-32-24-13-11-21-9-6-10-23(21)15-24)22-12-14-25(26(16-22)31-2)33-17-20-7-4-3-5-8-20/h3-5,7-8,11-16H,6,9-10,17-18H2,1-2H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,25,31,30,32,16,29,33,17,15,11,19,10,20,14,23,27,7,2,28,12,18,13,9,21,22,5,3,4,6,24,8,26/E:(4,5)(7,8)/rA:33nCCNNCOCOCCCCCCCCCCCCCCCOCOCCCCCCC/rB:s1;w2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12s16;s2;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H28N2O4 |
All Atoms: | 61 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.94386 |
Area: | 721.833 |
Solvation: | -9.10197 |
Coulombic: | -40.8894 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 444.522 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.98 |
LogP (Chemaxon): | 4.75 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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