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Chemical ID: 5939934
Chemical ID:
5939934
Name [?]:
3-chloro-N-[4-(2-ethylaminothiazol-4-yl)phenyl]-2,2-dimethyl-propanamide
SMILES [?]:
CCNc1nc(cs1)c2ccc(cc2)NC(=O)C(C)(C)CCl
InChi [?]:
InChI=1/C16H20ClN3OS/c1-4-18-15-20-13(9-22-15)11-5-7-12(8-6-11)19-14(21)16(2,3)10-17/h5-9H,4,10H2,1-3H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,19,20,2,10,14,11,13,7,21,9,12,6,16,4,18,22,3,15,5,17,8/E:(2,3)(5,6)(7,8)/rA:22nCCNCNCCSCCCCCCNCOCCCCCl/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;s18;s18;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20ClN3OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4834 |
Area: | 555.165 |
Solvation: | -2.39575 |
Coulombic: | -39.823 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 337.868 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.27 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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