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Chemical ID: 7486345
Chemical ID:
7486345
Name [?]:
[2-methoxy-4-[2-(2-naphthyloxy)propanoylaminoiminomethyl]phenyl] acetate
SMILES [?]:
CC(C(=O)NN=Cc1ccc(c(c1)OC)OC(=O)C)Oc2ccc3ccccc3c2
InChi [?]:
InChI=1/C23H22N2O5/c1-15(29-20-10-9-18-6-4-5-7-19(18)13-20)23(27)25-24-14-17-8-11-21(30-16(2)26)22(12-17)28-3/h4-15H,1-3H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,19,15,26,27,25,28,9,23,22,10,13,30,7,2,17,8,24,29,21,11,12,3,6,5,18,4,14,20,16/rA:30cCCCONNCCCCCCCOCOCOCOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;d17;s17;s2;s20;s21;d22;s23;s24;d25;s26;d27;d24s28;d21s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O5 |
All Atoms: | 52 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.70311 |
Area: | 650.269 |
Solvation: | -7.55361 |
Coulombic: | -51.7666 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 406.431 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.9 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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