Chemical ID: 5450905

Cc1cnc(s1)NC(=O)C(c2ccc(cc2)Cl)C(C)C
Chemical ID:
5450905
Name [?]:
2-(4-chlorophenyl)-3-methyl-N-(5-methylthiazol-2-yl)-butanamide
SMILES [?]:
Cc1cnc(s1)NC(=O)C(c2ccc(cc2)Cl)C(C)C
InChi [?]:
InChI=1/C15H17ClN2OS/c1-9(2)13(11-4-6-12(16)7-5-11)14(19)18-15-17-8-10(3)20-15/h4-9,13H,1-3H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:19,20,1,12,16,13,15,3,18,2,11,14,10,8,5,17,4,7,9,6/E:(1,2)(4,5)(6,7)/rA:20cCCCNCSNCOCCCCCCCClCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s10;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17ClN2OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:10.056
Area:509.43
Solvation:-2.67971
Coulombic:-27.4262
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:308.827
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.14
LogP (Chemaxon):4.28

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Descriptor Annotations

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