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Chemical ID: 5993572

Cc1ccccc1C(=O)Nc2cccc(c2)C3C(=C(N(C(=S)N3)C)C)C(=O)OCCOC

Chemical ID:

5993572

Name [?]:

2-methoxyethyl 1,6-dimethyl-4-[3-(2-methylbenzoyl)aminophenyl]-2-thioxo-3,4-dihydropyrimidine-5-carboxylate

SMILES [?]:

Cc1ccccc1C(=O)Nc2cccc(c2)C3C(=C(N(C(=S)N3)C)C)C(=O)OCCOC

InChi [?]:

InChI=1/C24H27N3O4S/c1-15-8-5-6-11-19(15)22(28)25-18-10-7-9-17(14-18)21-20(23(29)31-13-12-30-4)16(2)27(3)24(32)26-21/h5-11,14,21H,12-13H2,1-4H3,(H,25,28)(H,26,32)

InChi Info:

AuxInfo=1/1/N:1,25,24,32,4,5,13,3,14,12,6,30,29,16,2,19,15,11,7,18,17,8,26,21,10,23,20,9,27,31,28,22/rA:32cCCCCCCCCONCCCCCCCCCNCSNCCCOOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;d18;s19;s20;d21;s17s21;s20;s19;s18;d26;s26;s28;s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₇N₃O₄S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	11.4724
Area:	645.383
Solvation:	-4.66219
Coulombic:	-69.0261

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	453.555
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	3.59
LogP (Chemaxon):	2.56

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