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Chemical ID: 5914592

CC(C)CN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)C3CC3

Chemical ID:

5914592

Name [?]:

N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)carbamoyl]methyl]-N-isobutyl-cyclopropanecarboxamide

SMILES [?]:

CC(C)CN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)C3CC3

InChi [?]:

InChI=1/C25H34N2O4S/c1-18(2)15-27(25(29)20-8-9-20)17-24(28)26(16-21-6-5-13-32-21)12-11-19-7-10-22(30-3)23(14-19)31-4/h5-7,10,13-14,18,20H,8-9,11-12,15-17H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,3,21,19,25,24,13,31,32,14,11,10,26,17,4,22,6,2,12,30,23,15,16,7,28,9,5,8,29,20,18,27/E:(1,2)(8,9)/rA:32nCCCCNCCONCCCCCCCCOCOCCCCCCSCOCCC/rB:s1;s2;s2;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;s30s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₄N₂O₄S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8232
Area:	707.687
Solvation:	-6.869
Coulombic:	-48.2475

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	14
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	458.615
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	2.65
LogP (Chemaxon):	3.25

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