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Chemical ID: 5533954

CCOC(=O)c1ccc(cc1)NC(=O)CC2C(=O)N(C(=S)N2Cc3ccc(cc3)OC)C

Chemical ID:

5533954

Name [?]:

ethyl 4-[2-[3-[(4-methoxyphenyl)methyl]-1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]aminobenzoate

SMILES [?]:

CCOC(=O)c1ccc(cc1)NC(=O)CC2C(=O)N(C(=S)N2Cc3ccc(cc3)OC)C

InChi [?]:

InChI=1/C23H25N3O5S/c1-4-31-22(29)16-7-9-17(10-8-16)24-20(27)13-19-21(28)25(2)23(32)26(19)14-15-5-11-18(30-3)12-6-15/h5-12,19H,4,13-14H2,1-3H3,(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,32,31,2,25,29,7,11,8,10,26,28,15,23,24,6,9,27,16,13,17,4,20,12,19,22,14,18,5,30,3,21/E:(5,6)(7,8)(9,10)(11,12)/rA:32cCCOCOCCCCCCNCOCCCONCSNCCCCCCCOCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;d17;s17;s19;d20;s16s20;s22;s23;s24;d25;s26;d27;d24s28;s27;s30;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅N₃O₅S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	11.6225
Area:	700.967
Solvation:	-5.90162
Coulombic:	-70.8963

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	455.528
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	2.88
LogP (Chemaxon):	2.75

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