Chemical ID: 5449995

CCCOc1ccc(cc1)c2csc(n2)NC(=O)CCCCl
Chemical ID:
5449995
Name [?]:
4-chloro-N-[4-(4-propoxyphenyl)thiazol-2-yl]-butanamide
SMILES [?]:
CCCOc1ccc(cc1)c2csc(n2)NC(=O)CCCCl
InChi [?]:
InChI=1/C16H19ClN2O2S/c1-2-10-21-13-7-5-12(6-8-13)14-11-22-16(18-14)19-15(20)4-3-9-17/h5-8,11H,2-4,9-10H2,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,7,9,6,10,21,3,12,8,5,11,17,14,22,15,16,18,4,13/E:(5,6)(7,8)/rA:22nCCCOCCCCCCCCSCNNCOCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19ClN2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.302
Area:575.284
Solvation:-4.08006
Coulombic:-33.8347
Bond Count [?]
All:23
Single:17
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:338.853
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.76
LogP (Chemaxon):4.3

Name Annotations

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Descriptor Annotations

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