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Chemical ID: 5554887

CCOCCCNC(=O)C(c1ccc(cc1)OC)N(Cc2cccs2)C(=O)CNC(=O)C

Chemical ID:

5554887

Name [?]:

N-[[[3-ethoxypropylcarbamoyl-(4-methoxyphenyl)-methyl]-(2-thienylmethyl)carbamoyl]methyl]acetamide

SMILES [?]:

CCOCCCNC(=O)C(c1ccc(cc1)OC)N(Cc2cccs2)C(=O)CNC(=O)C

InChi [?]:

InChI=1/C23H31N3O5S/c1-4-31-13-6-12-24-23(29)22(18-8-10-19(30-3)11-9-18)26(16-20-7-5-14-32-20)21(28)15-25-17(2)27/h5,7-11,14,22H,4,6,12-13,15-16H2,1-3H3,(H,24,29)(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,32,18,2,23,5,22,12,16,13,15,6,4,24,28,20,30,11,14,21,26,10,8,7,29,19,31,27,9,17,3,25/E:(8,9)(10,11)/rA:32cCCOCCCNCOCCCCCCCOCNCCCCCSCOCNCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;s10;s19;s20;d21;s22;d23;s21s24;s19;d26;s26;s28;s29;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₁N₃O₅S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	10.5424
Area:	708.523
Solvation:	-7.17068
Coulombic:	-73.3843

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	16
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	461.575
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	1.05
LogP (Chemaxon):	0.45

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

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Chemical Mix	Source	External ID	Descriptor	Value