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Chemical ID: 6631349
Chemical ID:
6631349
Name [?]:
[4-[[2-(1-naphthyloxy)acetyl]aminoiminomethyl]phenyl] 4-propoxybenzoate
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3cccc4c3cccc4
InChi [?]:
InChI=1/C29H26N2O5/c1-2-18-34-24-16-12-23(13-17-24)29(33)36-25-14-10-21(11-15-25)19-30-31-28(32)20-35-27-9-5-7-22-6-3-4-8-26(22)27/h3-17,19H,2,18,20H2,1H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,2,35,34,29,36,30,33,28,16,18,7,9,15,19,6,10,3,20,25,17,31,8,5,14,32,27,23,11,21,22,24,12,4,26,13/E:(10,11)(12,13)(14,15)(16,17)/rA:36nCCCOCCCCCCCOOCCCCCCCNNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;w20;s21;s22;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;s32;d33;s34;s31d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H26N2O5 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8076 |
Area: | 774.947 |
Solvation: | -7.56605 |
Coulombic: | -55.0987 |
Bond Count [?]
All: | 39 |
Single: | 25 |
Double: | 14 |
Rotors: | 12 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 482.527 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 7.14 |
LogP (Chemaxon): | 5.81 |
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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