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Chemical ID: 7060480

CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccncc3

Chemical ID:

7060480

Name [?]:

1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-propoxyphenyl)-4-(4-pyridylcarbonyl)-5H-pyrrol-2-one

SMILES [?]:

CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccncc3

InChi [?]:

InChI=1/C23H27N3O4/c1-4-15-30-18-7-5-16(6-8-18)20-19(21(27)17-9-11-24-12-10-17)22(28)23(29)26(20)14-13-25(2)3/h5-12,20,28H,4,13-15H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,20,21,2,7,9,6,10,26,30,27,29,18,17,3,8,25,5,12,11,23,13,14,28,19,16,24,22,15,4/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:30cCCCOCCCCCCCCCCONCCNCCOCOCCCNCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s19;s13;s12;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₇N₃O₄
All Atoms:	57
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	10.3681
Area:	662.592
Solvation:	-6.1967
Coulombic:	-58.9479

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.5
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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