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Chemical ID: 6414382
Chemical ID:
6414382
Name [?]:
N'-(2-bromophenyl)-N-[(2-hydroxy-1-naphthyl)methyleneamino]pentanediamide
SMILES [?]:
c1ccc2c(c1)ccc(c2C=NNC(=O)CCCC(=O)Nc3ccccc3Br)O
InChi [?]:
InChI=1/C22H20BrN3O3/c23-18-8-3-4-9-19(18)25-21(28)10-5-11-22(29)26-24-14-17-16-7-2-1-6-15(16)12-13-20(17)27/h1-4,6-9,12-14,27H,5,10-11H2,(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,17,6,3,26,23,18,16,7,8,11,5,4,10,27,22,9,19,14,28,12,21,13,29,20,15/rA:29nCCCCCCCCCCCNNCOCCCCONCCCCCCBrO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;s13;d14;s14;s16;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20BrN3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2966 |
Area: | 642.898 |
Solvation: | -5.77581 |
Coulombic: | -54.5726 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 454.317 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 5.02 |
LogP (Chemaxon): | 4.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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