Chemical ID: 7253315

CC(CCc1ccccc1)NC(=O)c2cccnc2SC
Chemical ID:
7253315
Name [?]:
N-(1-methyl-3-phenyl-propyl)-2-methylsulfanyl-pyridine-3-carboxamide
SMILES [?]:
CC(CCc1ccccc1)NC(=O)c2cccnc2SC
InChi [?]:
InChI=1/C17H20N2OS/c1-13(10-11-14-7-4-3-5-8-14)19-16(20)15-9-6-12-18-17(15)21-2/h3-9,12-13H,10-11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,8,7,9,16,6,10,15,3,4,17,2,5,14,12,19,18,11,13,20/E:(4,5)(7,8)/rA:21cCCCCCCCCCCNCOCCCCNCSC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2OS
All Atoms:41
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:10.4637
Area:521.498
Solvation:-2.57374
Coulombic:-29.1414
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:300.42
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.69
LogP (Chemaxon):3.82

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue