Chemical ID: 6455783

Cc1cc2c(cc1C)oc(n2)c3cc(ccc3Cl)NC(=O)c4ccccc4Cl
Chemical ID:
6455783
Name [?]:
2-chloro-N-[4-chloro-3-(5,6-dimethylbenzooxazol-2-yl)-phenyl]-benzamide
SMILES [?]:
Cc1cc2c(cc1C)oc(n2)c3cc(ccc3Cl)NC(=O)c4ccccc4Cl
InChi [?]:
InChI=1/C22H16Cl2N2O2/c1-12-9-19-20(10-13(12)2)28-22(26-19)16-11-14(7-8-18(16)24)25-21(27)15-5-3-4-6-17(15)23/h3-11H,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,8,24,25,23,26,15,16,3,6,13,2,7,14,22,12,27,17,4,5,20,10,28,18,19,11,21,9/rA:28nCCCCCCCCOCNCCCCCCClNCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s4d10;s10;s12;d13;s14;d15;d12s16;s17;s14;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16Cl2N2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.1649
Area:604.363
Solvation:-2.94415
Coulombic:-37.6213
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:411.28
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.25
LogP (Chemaxon):7.04

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