Chemical ID: 6414382

c1ccc2c(c1)ccc(c2C=NNC(=O)CCCC(=O)Nc3ccccc3Br)O
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

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