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Chemical ID: 6024153

CCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C)C(=O)c3cccs3

Chemical ID:

6024153

Name [?]:

N-[[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-propyl-thiophene-2-carboxamide

SMILES [?]:

CCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C)C(=O)c3cccs3

InChi [?]:

InChI=1/C26H32N2O4S2/c1-5-12-28(26(30)23-7-6-14-33-23)18-25(29)27(17-24-19(2)11-15-34-24)13-10-20-8-9-21(31-3)22(16-20)32-4/h6-9,11,14-16H,5,10,12-13,17-18H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,27,20,18,2,32,31,12,13,10,24,3,9,33,25,16,21,5,23,11,14,15,30,22,6,28,8,4,7,29,19,17,34,26/rA:34nCCCNCCONCCCCCCCCOCOCCCCCCSCCOCCCCS/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s8;s21;d22;s23;d24;s22s25;s23;s4;d28;s28;d30;s31;d32;s30s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₂N₂O₄S₂
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1584
Area:	721.526
Solvation:	-6.87972
Coulombic:	-50.2988

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	14
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	500.675
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.04
LogP (Chemaxon):	3.77

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value