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Chemical ID: 7299816
Chemical ID:
7299816
Name [?]:
N-(5-acetyl-4-methyl-thiazol-2-yl)-2-indan-5-yloxy-acetamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)COc2ccc3c(c2)CCC3)C(=O)C
InChi [?]:
InChI=1/C17H18N2O3S/c1-10-16(11(2)20)23-17(18-10)19-15(21)9-22-14-7-6-12-4-3-5-13(12)8-14/h6-8H,3-5,9H2,1-2H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,23,19,20,18,14,13,17,10,2,21,15,16,12,8,3,5,6,7,22,9,11,4/rA:23nCCCSCNNCOCOCCCCCCCCCCOC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15s19;s3;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O3S |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.7949 |
Area: | 536.909 |
Solvation: | -5.62781 |
Coulombic: | -39.0943 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 330.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.12 |
LogP (Chemaxon): | 2.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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