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Chemical ID: 6945239
Chemical ID:
6945239
Name [?]:
N-(6-butylbenzothiazol-2-yl)-2-methyl-benzamide
SMILES [?]:
CCCCc1ccc2c(c1)sc(n2)NC(=O)c3ccccc3C
InChi [?]:
InChI=1/C19H20N2OS/c1-3-4-8-14-10-11-16-17(12-14)23-19(20-16)21-18(22)15-9-6-5-7-13(15)2/h5-7,9-12H,3-4,8H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,2,3,20,19,21,4,18,6,7,10,22,5,17,8,9,15,12,13,14,16,11/rA:23nCCCCCCCCCCSCNNCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s8d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2OS |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5746 |
Area: | 551.578 |
Solvation: | -2.21488 |
Coulombic: | -29.9878 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.441 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.38 |
LogP (Chemaxon): | 6.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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