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Chemical ID: 5914981

CCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)C3CCC3

Chemical ID:

5914981

Name [?]:

N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)carbamoyl]methyl]-N-propyl-cyclobutanecarboxamide

SMILES [?]:

CCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)C3CCC3

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,20,18,2,31,24,30,32,23,12,13,10,3,9,25,16,21,5,11,29,22,14,15,6,27,8,4,7,28,19,17,26/E:(7,8)/rA:32nCCCNCCONCCCCCCCCOCOCCCCCCSCOCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s8;s21;d22;s23;d24;s22s25;s4;d27;s27;s29;s30;s29s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	11.0024
Area:	715.374
Solvation:	-6.882
Coulombic:	-48.3084

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:	2.92
LogP (Chemaxon):	3.24

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