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Chemical ID: 6649944
Chemical ID:
6649944
Name [?]:
[4-[[2-(2-bromophenoxy)acetyl]aminoiminomethyl]phenyl] 3-phenylprop-2-enoate
SMILES [?]:
c1ccc(cc1)C=CC(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccccc3Br
InChi [?]:
InChI=1/C24H19BrN2O4/c25-21-8-4-5-9-22(21)30-17-23(28)27-26-16-19-10-13-20(14-11-19)31-24(29)15-12-18-6-2-1-3-7-18/h1-16H,17H2,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,28,27,3,5,29,26,14,16,7,13,17,8,18,23,4,15,12,30,25,21,9,31,19,20,22,10,24,11/E:(2,3)(6,7)(10,11)(13,14)/rA:31nCCCCCCCCCOOCCCCCCCNNCOCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;w18;s19;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19BrN2O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.84824 |
Area: | 662.929 |
Solvation: | -6.725 |
Coulombic: | -46.691 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 2 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 479.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.25 |
LogP (Chemaxon): | 5.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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