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Chemical ID: 6025310

CCCN(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(=O)c3ccccc3

Chemical ID:

6025310

Name [?]:

N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-propyl-benzamide

SMILES [?]:

CCCN(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(=O)c3ccccc3

InChi [?]:

InChI=1/C25H28N2O2S/c1-3-15-26(25(29)22-12-8-5-9-13-22)19-24(28)27(17-21-10-6-4-7-11-21)18-23-20(2)14-16-30-23/h4-14,16H,3,15,17-19H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,22,2,13,28,12,14,27,29,11,15,26,30,19,3,20,9,16,5,18,10,25,17,6,23,4,8,7,24,21/E:(6,7)(8,9)(10,11)(12,13)/rA:30nCCCNCCONCCCCCCCCCCCCSCCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s18;d19;s17s20;s18;s4;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₈N₂O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0387
Area:	614.965
Solvation:	-3.33547
Coulombic:	-38.1156

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	420.568
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.29
LogP (Chemaxon):	4.61

Name Annotations

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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