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Chemical ID: 4476434
Chemical ID:
4476434
Name [?]:
2-methoxy-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-benzamide
SMILES [?]:
CCCSc1nnc(s1)NC(=O)c2ccccc2OC
InChi [?]:
InChI=1/C13H15N3O2S2/c1-3-8-19-13-16-15-12(20-13)14-11(17)9-6-4-5-7-10(9)18-2/h4-7H,3,8H2,1-2H3,(H,14,15,17)
InChi Info:
AuxInfo=1/1/N:1,20,2,15,16,14,17,3,13,18,11,8,5,10,7,6,12,19,4,9/rA:20nCCCSCNNCSNCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s8;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15N3O2S2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49588 |
Area: | 518.176 |
Solvation: | -4.45852 |
Coulombic: | -33.7369 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 309.409 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.65 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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