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Chemical ID: 5914892

CCC(C)N(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)c3cccs3

Chemical ID:

5914892

Name [?]:

N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)carbamoyl]methyl]-N-sec-butyl-thiophene-2-carboxamide

SMILES [?]:

CCC(C)N(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)c3cccs3

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,4,21,19,2,25,32,24,31,13,14,11,10,26,33,17,22,6,3,12,23,15,16,30,7,28,9,5,8,29,20,18,27,34/rA:34cCCCCNCCONCCCCCCCCOCOCCCCCCSCOCCCCS/rB:s1;s2;s3;s3;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;d30;s31;d32;s30s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₂N₂O₄S₂
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	11.5629
Area:	727.911
Solvation:	-6.63487
Coulombic:	-50.9414

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:	3.35
LogP (Chemaxon):	3.72

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