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Chemical ID: 6003080
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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