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Chemical ID: 6624748
Chemical ID:
6624748
Name [?]:
[2-methoxy-4-[2-(2-naphthyloxy)propanoylaminoiminomethyl]phenyl] 4-chlorobenzoate
SMILES [?]:
CC(C(=O)NN=Cc1ccc(c(c1)OC)OC(=O)c2ccc(cc2)Cl)Oc3ccc4ccccc4c3
InChi [?]:
InChI=1/C28H23ClN2O5/c1-18(35-24-13-10-20-5-3-4-6-22(20)16-24)27(32)31-30-17-19-7-14-25(26(15-19)34-2)36-28(33)21-8-11-23(29)12-9-21/h3-18H,1-2H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,15,32,33,31,34,9,20,24,29,21,23,28,10,13,36,7,2,8,30,19,35,22,27,11,12,3,17,25,6,5,4,18,14,26,16/E:(8,9)(11,12)/rA:36cCCCONNCCCCCCCOCOCOCCCCCCClOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s2;s26;s27;d28;s29;s30;d31;s32;d33;d30s34;d27s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H23ClN2O5 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8942 |
Area: | 766.829 |
Solvation: | -7.27649 |
Coulombic: | -56.0646 |
Bond Count [?]
All: | 39 |
Single: | 25 |
Double: | 14 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 502.945 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 7.24 |
LogP (Chemaxon): | 6.05 |
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
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