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Chemical ID: 3993433
Chemical ID:
3993433
Name [?]:
2-chloro-N-[4-(4-sec-butylphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
CCC(C)c1ccc(cc1)c2csc(n2)NC(=O)CCl
InChi [?]:
InChI=1/C15H17ClN2OS/c1-3-10(2)11-4-6-12(7-5-11)13-9-20-15(17-13)18-14(19)8-16/h4-7,9-10H,3,8H2,1-2H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,4,2,6,10,7,9,19,12,3,5,8,11,17,14,20,15,16,18,13/E:(4,5)(6,7)/rA:20cCCCCCCCCCCCCSCNNCOCCl/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17ClN2OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.94586 |
Area: | 518.722 |
Solvation: | -3.0222 |
Coulombic: | -27.4252 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 308.827 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.32 |
LogP (Chemaxon): | 4.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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