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Chemical ID: 6909117
Chemical ID:
6909117
Name [?]:
N-(6-methylbenzothiazol-2-yl)-4-(3-methylphenoxy)-butanamide
SMILES [?]:
Cc1cccc(c1)OCCCC(=O)Nc2nc3ccc(cc3s2)C
InChi [?]:
InChI=1/C19H20N2O2S/c1-13-5-3-6-15(11-13)23-10-4-7-18(22)21-19-20-16-9-8-14(2)12-17(16)24-19/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,4,10,3,5,11,19,18,9,7,21,2,20,6,17,22,12,15,16,14,13,8,23/rA:24nCCCCCCCOCCCCONCNCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;s14;d15;s16;s17;d18;s19;d20;d17s21;s15s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O2S |
All Atoms: | 44 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.95415 |
Area: | 573.45 |
Solvation: | -4.38211 |
Coulombic: | -33.5679 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 340.44 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.97 |
LogP (Chemaxon): | 5.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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