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Chemical ID: 5939866
Chemical ID:
5939866
Name [?]:
N-[4-(2-diethylaminothiazol-4-yl)phenyl]pentanamide
SMILES [?]:
CCCCC(=O)Nc1ccc(cc1)c2csc(n2)N(CC)CC
InChi [?]:
InChI=1/C18H25N3OS/c1-4-7-8-17(22)19-15-11-9-14(10-12-15)16-13-23-18(20-16)21(5-2)6-3/h9-13H,4-8H2,1-3H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,21,23,2,20,22,3,4,10,12,9,13,15,11,8,14,5,17,7,18,19,6,16/E:(2,3)(5,6)(9,10)(11,12)/rA:23nCCCCCONCCCCCCCCSCNNCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;d14;s15;s16;s14d17;s17;s19;s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25N3OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9604 |
Area: | 581.195 |
Solvation: | -2.56951 |
Coulombic: | -34.0954 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 331.477 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.56 |
LogP (Chemaxon): | 5.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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