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Chemical ID: 6646608
Chemical ID:
6646608
Name [?]:
[4-[2-(2-naphthyloxy)propanoylaminoiminomethyl]phenyl] 4-methoxybenzoate
SMILES [?]:
CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2ccc(cc2)OC)Oc3ccc4ccccc4c3
InChi [?]:
InChI=1/C28H24N2O5/c1-19(34-26-16-9-21-5-3-4-6-23(21)17-26)27(31)30-29-18-20-7-12-25(13-8-20)35-28(32)22-10-14-24(33-2)15-11-22/h3-19H,1-2H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,24,31,32,30,33,9,13,28,18,22,10,12,19,21,27,35,7,2,8,29,17,34,20,11,26,3,15,6,5,4,16,23,25,14/E:(7,8)(10,11)(12,13)(14,15)/rA:35cCCCONNCCCCCCCOCOCCCCCCOCOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s2;s25;s26;d27;s28;s29;d30;s31;d32;d29s33;d26s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H24N2O5 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2385 |
Area: | 741.242 |
Solvation: | -7.29255 |
Coulombic: | -55.1408 |
Bond Count [?]
All: | 38 |
Single: | 24 |
Double: | 14 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 468.501 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 6.88 |
LogP (Chemaxon): | 5.53 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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