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Chemical ID: 5916844

CCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2ccc(s2)C)C(=O)C(C)C

Chemical ID:

5916844

Name [?]:

N-butyl-N-[[2-(3,4-dimethoxyphenyl)ethyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-2-methyl-propanamide

SMILES [?]:

CCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2ccc(s2)C)C(=O)C(C)C

InChi [?]:

InChI=1/C26H38N2O4S/c1-7-8-14-28(26(30)19(2)3)18-25(29)27(17-22-11-9-20(4)33-22)15-13-21-10-12-23(31-5)24(16-21)32-6/h9-12,16,19H,7-8,13-15,17-18H2,1-6H3

InChi Info:

AuxInfo=1/0/N:1,32,33,28,21,19,2,3,25,13,24,14,11,4,10,17,22,6,31,26,12,23,15,16,7,29,9,5,8,30,20,18,27/E:(2,3)/rA:33nCCCCNCCONCCCCCCCCOCOCCCCCCSCCOCCC/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;s26;s5;d29;s29;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₈N₂O₄S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8674
Area:	761.042
Solvation:	-7.15863
Coulombic:	-47.931

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	15
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	474.657
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.11
LogP (Chemaxon):	3.74

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