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Chemical ID: 6262642
Chemical ID:
6262642
Name [?]:
4-diethylamino-N-(6-methyl-4,5,6,7-tetrahydrobenzothiazol-2-yl)-benzamide
SMILES [?]:
CCN(CC)c1ccc(cc1)C(=O)Nc2nc3c(s2)CC(CC3)C
InChi [?]:
InChI=1/C19H25N3OS/c1-4-22(5-2)15-9-7-14(8-10-15)18(23)21-19-20-16-11-6-13(3)12-17(16)24-19/h7-10,13H,4-6,11-12H2,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,24,2,4,22,8,10,7,11,23,20,21,9,6,17,18,12,15,16,14,3,13,19/E:(1,2)(4,5)(7,8)(9,10)/rA:24cCCNCCCCCCCCCONCNCCSCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;d15;s16;d17;s15s18;s18;s20;s21;s17s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N3OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.4768 |
Area: | 567.819 |
Solvation: | -2.71871 |
Coulombic: | -33.6312 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 343.487 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.7 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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