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Chemical ID: 5914843

CCCCC(=O)N(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C3CCCCC3

Chemical ID:

5914843

Name [?]:

N-cyclohexyl-N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)carbamoyl]methyl]pentanamide

SMILES [?]:

CCCCC(=O)N(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C3CCCCC3

InChi [?]:

InChI=1/C28H40N2O4S/c1-4-5-13-27(31)30(23-10-7-6-8-11-23)21-28(32)29(20-24-12-9-18-35-24)17-16-22-14-15-25(33-2)26(19-22)34-3/h9,12,14-15,18-19,23H,4-8,10-11,13,16-17,20-21H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,23,21,2,3,33,32,34,27,31,35,26,4,15,16,13,12,28,19,24,8,14,30,25,17,18,5,9,11,7,6,10,22,20,29/E:(7,8)(10,11)/rA:35nCCCCCONCCONCCCCCCCCOCOCCCCCCSCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s11;s24;d25;s26;d27;s25s28;s7;s30;s31;s32;s33;s30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₄₀N₂O₄S
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0279
Area:	761.465
Solvation:	-7.00877
Coulombic:	-48.2622

Bond Count [?]

All:	37
Single:	30
Double:	7
Rotors:	15
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	500.694
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	4.59
LogP (Chemaxon):	4.35

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