Chemical ID: 6452942

Cc1cc2c(cc1C)oc(n2)c3cc(ccc3Cl)NC(=O)c4cccc(c4)I
Chemical ID:
6452942
Name [?]:
N-[4-chloro-3-(5,6-dimethylbenzooxazol-2-yl)-phenyl]-3-iodo-benzamide
SMILES [?]:
Cc1cc2c(cc1C)oc(n2)c3cc(ccc3Cl)NC(=O)c4cccc(c4)I
InChi [?]:
InChI=1/C22H16ClIN2O2/c1-12-8-19-20(9-13(12)2)28-22(26-19)17-11-16(6-7-18(17)23)25-21(27)14-4-3-5-15(24)10-14/h3-11H,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,8,24,23,25,15,16,3,6,27,13,2,7,22,26,14,12,17,4,5,20,10,18,28,19,11,21,9/rA:28nCCCCCCCCOCNCCCCCCClNCOCCCCCCI/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;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16ClIN2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.1396
Area:630.104
Solvation:-2.61297
Coulombic:-37.7105
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:502.732
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.69
LogP (Chemaxon):7.52

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