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Chemical ID: 4103583
Chemical ID:
4103583
Name [?]:
N-(6-butylbenzothiazol-2-yl)benzamide
SMILES [?]:
CCCCc1ccc2c(c1)sc(n2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C18H18N2OS/c1-2-3-7-13-10-11-15-16(12-13)22-18(19-15)20-17(21)14-8-5-4-6-9-14/h4-6,8-12H,2-3,7H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,3,20,19,21,4,18,22,6,7,10,5,17,8,9,15,12,13,14,16,11/E:(5,6)(8,9)/rA:22nCCCCCCCCCCSCNNCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s8d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1173 |
Area: | 537.139 |
Solvation: | -2.31118 |
Coulombic: | -30.0608 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 310.414 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.94 |
LogP (Chemaxon): | 5.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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