Chemical ID: 5507031

CC(C)c1ccc(cc1)Cc2cnc(s2)NC(=O)c3ccc(cc3)CN4CCOCC4
Chemical ID:
5507031
Name [?]:
N-[5-[(4-isopropylphenyl)methyl]thiazol-2-yl]-4-(morpholinomethyl)benzamide
SMILES [?]:
CC(C)c1ccc(cc1)Cc2cnc(s2)NC(=O)c3ccc(cc3)CN4CCOCC4
InChi [?]:
InChI=1/C25H29N3O2S/c1-18(2)21-7-3-19(4-8-21)15-23-16-26-25(31-23)27-24(29)22-9-5-20(6-10-22)17-28-11-13-30-14-12-28/h3-10,16,18H,11-15,17H2,1-2H3,(H,26,27,29)
InChi Info:
AuxInfo=1/1/N:1,3,6,8,21,23,5,9,20,24,27,31,28,30,10,12,25,2,7,22,4,19,11,17,14,13,16,26,18,29,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:31nCCCCCCCCCCCCNCSNCOCCCCCCCNCCOCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s11s14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29N3O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.6155
Area:697.084
Solvation:-4.81161
Coulombic:-41.6831
Bond Count [?]
All:34
Single:25
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:435.583
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.7
LogP (Chemaxon):4.78

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