Chemical ID: 6026310

CCNC(=O)N(CC(C)C)CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C
Chemical ID:
6026310
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(ethylcarbamoyl-isobutyl-amino)-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCNC(=O)N(CC(C)C)CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C
InChi [?]:
InChI=1/C25H37N3O4S/c1-7-26-25(30)28(15-18(2)3)17-24(29)27(16-23-19(4)11-13-33-23)12-10-20-8-9-21(31-5)22(14-20)32-6/h8-9,11,13-14,18H,7,10,12,15-17H2,1-6H3,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,9,10,33,26,24,2,18,19,16,30,15,31,22,7,27,11,8,29,17,20,21,28,12,4,3,14,6,13,5,25,23,32/E:(2,3)/rA:33nCCNCONCCCCCCONCCCCCCCCOCOCCCCCCSC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s8;s6;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s14;s27;d28;s29;d30;s28s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H37N3O4S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.0428
Area:731.07
Solvation:-7.23395
Coulombic:-61.9577
Bond Count [?]
All:34
Single:27
Double:7
Rotors:15
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:475.645
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.65
LogP (Chemaxon):3.34

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