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Chemical ID: 5933294

CCOC(=O)C1=C(N(C(=O)NC1c2ccc(cc2)NC(=O)Nc3ccccc3OC)C)C

Chemical ID:

5933294

Name [?]:

ethyl 4-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate

SMILES [?]:

CCOC(=O)C1=C(N(C(=O)NC1c2ccc(cc2)NC(=O)Nc3ccccc3OC)C)C

InChi [?]:

InChI=1/C23H26N4O5/c1-5-32-21(28)19-14(2)27(3)23(30)26-20(19)15-10-12-16(13-11-15)24-22(29)25-17-8-6-7-9-18(17)31-4/h6-13,20H,5H2,1-4H3,(H,26,30)(H2,24,25,29)

InChi Info:

AuxInfo=1/1/N:1,32,31,30,2,25,26,24,27,14,18,15,17,7,13,16,23,28,6,12,4,20,9,19,22,11,8,5,21,10,29,3/E:(10,11)(12,13)/rA:32cCCOCOCCNCONCCCCCCCNCONCCCCCCOCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s9;s6s11;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s29;s8;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₆N₄O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	11.7125
Area:	649.222
Solvation:	-4.51801
Coulombic:	-91.6402

Bond Count [?]

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

Chemical Properties

Molecular Weight:	438.477
H-Bond Donors:	3
H-Bond Acceptors:	9
XLogP:	1.85
LogP (Chemaxon):	2.02

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