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Chemical ID: 6409049
Chemical ID:
6409049
Name [?]:
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholinosulfonyl-benzamide
SMILES [?]:
Cc1nnc(s1)NC(=O)c2cccc(c2)S(=O)(=O)N3CCOCC3
InChi [?]:
InChI=1/C14H16N4O4S2/c1-10-16-17-14(23-10)15-13(19)11-3-2-4-12(9-11)24(20,21)18-5-7-22-8-6-18/h2-4,9H,5-8H2,1H3,(H,15,17,19)
InChi Info:
AuxInfo=1/1/N:1,12,11,13,20,24,21,23,15,2,10,14,8,5,7,3,4,19,9,17,18,22,6,16/E:(5,6)(7,8)(20,21)/CRV:24.6/rA:24nCCNNCSNCOCCCCCCSOONCCOCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;d16;d16;s16;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N4O4S2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.69126 |
Area: | 553.887 |
Solvation: | -5.1559 |
Coulombic: | -39.1964 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 368.433 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.19 |
LogP (Chemaxon): | 0.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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