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Chemical ID: 7370689
Chemical ID:
7370689
Name [?]:
2-(2,5-dimethylphenyl)sulfanyl-N-(1,1-dimethylpropyl)pyridine-3-carboxamide
SMILES [?]:
CCC(C)(C)NC(=O)c1cccnc1Sc2cc(ccc2C)C
InChi [?]:
InChI=1/C19H24N2OS/c1-6-19(4,5)21-17(22)15-8-7-11-20-18(15)23-16-12-13(2)9-10-14(16)3/h7-12H,6H2,1-5H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,22,4,5,2,11,10,19,20,12,17,18,21,9,16,7,14,3,13,6,8,15/E:(4,5)/rA:23nCCCCCNCOCCCCNCSCCCCCCCC/rB:s1;s2;s3;s3;s3;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;s15;s16;d17;s18;d19;d16s20;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2OS |
All Atoms: | 47 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0154 |
Area: | 534.07 |
Solvation: | -2.33631 |
Coulombic: | -28.8986 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 328.473 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.78 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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