Chemical ID: 6007464

CCCCCN(CC(=O)Nc1ncc(s1)C)C(=O)C(c2ccccc2)c3ccccc3
Chemical ID:
6007464
Name [?]:
2-[(2,2-diphenylacetyl)-pentyl-amino]-N-(5-methylthiazol-2-yl)-acetamide
SMILES [?]:
CCCCCN(CC(=O)Nc1ncc(s1)C)C(=O)C(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C25H29N3O2S/c1-3-4-11-16-28(18-22(29)27-25-26-17-19(2)31-25)24(30)23(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,17,23H,3-4,11,16,18H2,1-2H3,(H,26,27,29)
InChi Info:
AuxInfo=1/1/N:1,16,2,3,23,29,22,24,28,30,4,21,25,27,31,5,13,7,14,20,26,8,19,17,11,12,10,6,9,18,15/E:(5,6)(7,8,9,10)(12,13,14,15)(20,21)/rA:31nCCCCCNCCONCNCCSCCOCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s6;d17;s17;s19;s20;d21;s22;d23;d20s24;s19;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29N3O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.5939
Area:697.068
Solvation:-4.83284
Coulombic:-44.5836
Bond Count [?]
All:33
Single:23
Double:10
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:435.583
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.13
LogP (Chemaxon):5.03

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