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Chemical ID: 3896605
Chemical ID:
3896605
Name [?]:
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(4-methylthiazol-2-yl)-acetamide
SMILES [?]:
CCN(c1nc(cs1)C)C(=O)CSc2nnc(o2)c3ccccc3Cl
InChi [?]:
InChI=1/C16H15ClN4O2S2/c1-3-21(15-18-10(2)8-24-15)13(22)9-25-16-20-19-14(23-16)11-6-4-5-7-12(11)17/h4-8H,3,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,2,21,22,20,23,7,12,6,19,24,10,17,4,14,25,5,16,15,3,11,18,8,13/rA:25nCCNCNCCSCCOCSCNNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;s3;d10;s10;s12;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClN4O2S2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3446 |
Area: | 594.932 |
Solvation: | -3.5287 |
Coulombic: | -36.557 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 394.901 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.43 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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