Chemical ID: 6003080

Cc1csc(n1)NC(=O)CN(C(=O)COc2ccc(cc2)Cl)C(C)(C)C
Chemical ID:
6003080
Name [?]:
2-[[2-(4-chlorophenoxy)acetyl]-tert-butyl-amino]-N-(4-methylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(C(=O)COc2ccc(cc2)Cl)C(C)(C)C
InChi [?]:
InChI=1/C18H22ClN3O3S/c1-12-11-26-17(20-12)21-15(23)9-22(18(2,3)4)16(24)10-25-14-7-5-13(19)6-8-14/h5-8,11H,9-10H2,1-4H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,25,26,18,20,17,21,10,14,3,2,19,16,8,12,5,23,22,6,7,11,9,13,15,4/E:(2,3,4)(5,6)(7,8)/rA:26nCCCSCNNCOCNCOCOCCCCCCClCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s11;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22ClN3O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.31308
Area:607.356
Solvation:-5.87081
Coulombic:-48.5433
Bond Count [?]
All:27
Single:20
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:395.904
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.03
LogP (Chemaxon):2.83

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