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Chemical ID: 5916737

CCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)C3CCCC3

Chemical ID:

5916737

Name [?]:

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

SMILES [?]:

CCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)C3CCCC3

InChi [?]:

InChI=1/C27H38N2O4S/c1-4-5-15-29(27(31)22-9-6-7-10-22)20-26(30)28(19-23-11-8-17-34-23)16-14-21-12-13-24(32-2)25(18-21)33-3/h8,11-13,17-18,22H,4-7,9-10,14-16,19-20H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,21,19,2,3,32,33,25,31,34,24,13,14,11,4,10,26,17,22,6,12,30,23,15,16,7,28,9,5,8,29,20,18,27/E:(6,7)(9,10)/rA:34nCCCCNCCONCCCCCCCCOCOCCCCCCSCOCCCCC/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;s32;s30s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₈N₂O₄S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6444
Area:	751.347
Solvation:	-7.13931
Coulombic:	-48.3935

Bond Count [?]

All:	36
Single:	29
Double:	7
Rotors:	15
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	486.668
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	4.06
LogP (Chemaxon):	4.03

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