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Chemical ID: 5563252
Chemical ID:
5563252
Name [?]:
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-propoxy-benzamide
SMILES [?]:
CCCOc1ccc(cc1OC)C(=O)Nc2nnc(s2)C3CC3
InChi [?]:
InChI=1/C16H19N3O3S/c1-3-8-22-12-7-6-11(9-13(12)21-2)14(20)17-16-19-18-15(23-16)10-4-5-10/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,12,2,22,23,7,6,3,9,21,8,5,10,13,19,16,15,18,17,14,11,4,20/E:(4,5)/rA:23nCCCOCCCCCCOCCONCNNCSCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;d13;s13;s15;d16;s17;d18;s16s19;s19;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19N3O3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.32364 |
Area: | 566.231 |
Solvation: | -5.83214 |
Coulombic: | -39.1385 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 333.406 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.05 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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