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Chemical ID: 5917060

CCOCCCN(CC(=O)N(Cc1ccccc1)Cc2ccc(s2)C)C(=O)CSc3ccccc3

Chemical ID:

5917060

Name [?]:

N-benzyl-2-[3-ethoxypropyl-(2-phenylsulfanylacetyl)-amino]-N-[(5-methyl-2-thienyl)methyl]acetamide

SMILES [?]:

CCOCCCN(CC(=O)N(Cc1ccccc1)Cc2ccc(s2)C)C(=O)CSc3ccccc3

InChi [?]:

InChI=1/C28H34N2O3S2/c1-3-33-18-10-17-29(28(32)22-34-25-13-8-5-9-14-25)21-27(31)30(19-24-11-6-4-7-12-24)20-26-16-15-23(2)35-26/h4-9,11-16H,3,10,17-22H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,25,2,16,33,15,17,32,34,5,14,18,31,35,22,21,6,4,12,19,8,28,23,13,30,20,9,26,7,11,10,27,3,29,24/E:(6,7)(8,9)(11,12)(13,14)/rA:35nCCOCCCNCCONCCCCCCCCCCCCSCCOCSCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s21;d22;s20s23;s23;s7;d26;s26;s28;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₄N₂O₃S₂
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	13.6051
Area:	809.054
Solvation:	-6.62126
Coulombic:	-43.111

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	16
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	510.713
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.05
LogP (Chemaxon):	3.91

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