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Chemical ID: 5914079
Chemical ID:
5914079
Name [?]:
2-[[2-(4-chlorophenoxy)acetyl]-(tetrahydrofuran-2-ylmethyl)amino]-N-(4,5-dimethylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)CN(CC2CCCO2)C(=O)COc3ccc(cc3)Cl)C
InChi [?]:
InChI=1/C20H24ClN3O4S/c1-13-14(2)29-20(22-13)23-18(25)11-24(10-17-4-3-9-27-17)19(26)12-28-16-7-5-15(21)6-8-16/h5-8,17H,3-4,9-12H2,1-2H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,29,15,14,24,26,23,27,16,12,10,20,2,3,25,22,13,8,18,5,28,6,7,11,9,19,17,21,4/E:(5,6)(7,8)/rA:29cCCCSCNNCOCNCCCCCOCOCOCCCCCCClC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s13s16;s11;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s25;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24ClN3O4S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.2685 |
Area: | 661.587 |
Solvation: | -7.27118 |
Coulombic: | -56.4718 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 437.941 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.94 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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