Chemical ID: 7486345

CC(C(=O)NN=Cc1ccc(c(c1)OC)OC(=O)C)Oc2ccc3ccccc3c2
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

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Descriptor Annotations

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