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Chemical ID: 5914890

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

Chemical ID:

5914890

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C25H34N2O4S/c1-5-18(2)27(25(29)20-9-10-20)17-24(28)26(16-21-7-6-14-32-21)13-12-19-8-11-22(30-3)23(15-19)31-4/h6-8,11,14-15,18,20H,5,9-10,12-13,16-17H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,4,21,19,2,25,24,13,31,32,14,11,10,26,17,22,6,3,12,30,23,15,16,7,28,9,5,8,29,20,18,27/E:(9,10)/rA:32cCCCCNCCONCCCCCCCCOCOCCCCCCSCOCCC/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;s30;s30s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₄N₂O₄S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	10.8286
Area:	700.758
Solvation:	-6.69039
Coulombic:	-48.1575

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:	2.82
LogP (Chemaxon):	3.26

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