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Chemical ID: 4192742
Chemical ID:
4192742
Name [?]:
N-(6-methoxybenzothiazol-2-yl)butanamide
SMILES [?]:
CCCC(=O)Nc1nc2ccc(cc2s1)OC
InChi [?]:
InChI=1/C12H14N2O2S/c1-3-4-11(15)14-12-13-9-6-5-8(16-2)7-10(9)17-12/h5-7H,3-4H2,1-2H3,(H,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,17,2,3,11,10,13,12,9,14,4,7,8,6,5,16,15/rA:17nCCCCONCNCCCCCCSOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s12;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O2S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.29045 |
Area: | 439.241 |
Solvation: | -3.69056 |
Coulombic: | -32.2833 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 250.318 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.92 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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