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Chemical ID: 3891221
Chemical ID:
3891221
Name [?]:
3-chloro-N-ethyl-N-[4-(4-fluorophenyl)thiazol-2-yl]-propanamide
SMILES [?]:
CCN(c1nc(cs1)c2ccc(cc2)F)C(=O)CCCl
InChi [?]:
InChI=1/C14H14ClFN2OS/c1-2-18(13(19)7-8-15)14-17-12(9-20-14)10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,14,11,13,18,19,7,9,12,6,16,4,20,15,5,3,17,8/E:(3,4)(5,6)/rA:20nCCNCNCCSCCCCCCFCOCCCl/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;s9;d10;s11;d12;d9s13;s12;s3;d16;s16;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14ClFN2OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.8355 |
Area: | 494.829 |
Solvation: | -3.53522 |
Coulombic: | -25.6484 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 312.791 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.43 |
LogP (Chemaxon): | 3.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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