Chemical ID: 7280135

CC(C(=O)Nc1nc(cs1)c2ccccc2)Oc3ccc(cc3)C#N
Chemical ID:
7280135
Name [?]:
2-(4-cyanophenoxy)-N-(4-phenylthiazol-2-yl)-propanamide
SMILES [?]:
CC(C(=O)Nc1nc(cs1)c2ccccc2)Oc3ccc(cc3)C#N
InChi [?]:
InChI=1/C19H15N3O2S/c1-13(24-16-9-7-14(11-20)8-10-16)18(23)22-19-21-17(12-25-19)15-5-3-2-4-6-15/h2-10,12-13H,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,20,22,19,23,24,9,2,21,11,18,8,3,6,25,7,5,4,17,10/E:(3,4)(5,6)(7,8)(9,10)/rA:25cCCCONCNCCSCCCCCCOCCCCCCCN/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s2;s17;s18;d19;s20;d21;d18s22;s21;t24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15N3O2S
All Atoms:40
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.918
Area:579.693
Solvation:-4.57432
Coulombic:-39.0766
Bond Count [?]
All:27
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:349.407
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.76
LogP (Chemaxon):4.57

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