Chemical ID: 6025366

CCC(=O)N(CCCOC)CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C
Chemical ID:
6025366
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(3-methoxypropyl)propanamide
SMILES [?]:
CCC(=O)N(CCCOC)CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C
InChi [?]:
InChI=1/C22H30N2O3S/c1-4-21(25)23(12-8-13-27-3)17-22(26)24(15-19-9-6-5-7-10-19)16-20-18(2)11-14-28-20/h5-7,9-11,14H,4,8,12-13,15-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,10,2,19,18,20,7,17,21,25,6,8,26,15,22,11,24,16,23,3,12,5,14,4,13,9,27/E:(6,7)(9,10)/rA:28nCCCONCCCOCCCONCCCCCCCCCCCCSC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s5;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s14;s22;d23;s24;d25;s23s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30N2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.6948
Area:640.148
Solvation:-5.30891
Coulombic:-41.4289
Bond Count [?]
All:29
Single:22
Double:7
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:402.551
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.21
LogP (Chemaxon):2.58

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