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Chemical ID: 7280135
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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