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Chemical ID: 6025468

CCOCCCN(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(=O)Cc3ccccc3

Chemical ID:

6025468

Name [?]:

N-benzyl-2-[3-ethoxypropyl-(2-phenylacetyl)-amino]-N-[(3-methyl-2-thienyl)methyl]acetamide

SMILES [?]:

CCOCCCN(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(=O)Cc3ccccc3

InChi [?]:

InChI=1/C28H34N2O3S/c1-3-33-17-10-16-29(27(31)19-24-11-6-4-7-12-24)22-28(32)30(20-25-13-8-5-9-14-25)21-26-23(2)15-18-34-26/h4-9,11-15,18H,3,10,16-17,19-22H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,25,2,32,16,31,33,15,17,5,30,34,14,18,22,6,4,23,28,12,19,8,21,29,13,20,26,9,7,11,27,10,3,24/E:(6,7)(8,9)(11,12)(13,14)/rA:34nCCOCCCNCCONCCCCCCCCCCCCSCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s21;d22;s20s23;s21;s7;d26;s26;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₄N₂O₃S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	13.0447
Area:	754.071
Solvation:	-5.80708
Coulombic:	-43.1646

Bond Count [?]

All:	36
Single:	26
Double:	10
Rotors:	15
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	478.647
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.91
LogP (Chemaxon):	4.14

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