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Chemical ID: 5919150
Chemical ID:
5919150
Name [?]:
2-(butyl-(ethylcarbamoyl)amino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)NCC
InChi [?]:
InChI=1/C24H35N3O4S/c1-5-7-13-27(24(29)25-6-2)18-23(28)26(17-20-9-8-15-32-20)14-12-19-10-11-21(30-3)22(16-19)31-4/h8-11,15-16H,5-7,12-14,17-18H2,1-4H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,32,21,19,2,31,3,25,24,13,14,11,4,10,26,17,22,6,12,23,15,16,7,28,30,9,5,8,29,20,18,27/rA:32nCCCCNCCONCCCCCCCCOCOCCCCCCSCONCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s9;s22;d23;s24;d25;s23s26;s5;d28;s28;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H35N3O4S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8277 |
Area: | 748.294 |
Solvation: | -6.87965 |
Coulombic: | -62.5677 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 461.619 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.78 |
LogP (Chemaxon): | 2.87 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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