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Chemical ID: 7154874

CCOc1ccc(cc1)C(=O)C2C(N(C(=O)C2=O)Cc3cccnc3)c4ccc(cc4)C(C)(C)C

Chemical ID:

7154874

Name [?]:

4-(4-ethoxybenzoyl)-1-(3-pyridylmethyl)-5-(4-tert-butylphenyl)-pyrrolidine-2,3-dione

SMILES [?]:

CCOc1ccc(cc1)C(=O)C2C(N(C(=O)C2=O)Cc3cccnc3)c4ccc(cc4)C(C)(C)C

InChi [?]:

InChI=1/C29H30N2O4/c1-5-35-23-14-10-21(11-15-23)26(32)24-25(20-8-12-22(13-9-20)29(2,3)4)31(28(34)27(24)33)18-19-7-6-16-30-17-19/h6-17,24-25H,5,18H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,33,34,35,2,22,21,27,31,6,8,28,30,5,9,23,25,19,20,26,7,29,4,12,13,10,17,15,32,24,14,11,18,16,3/E:(2,3,4)(8,9)(10,11)(12,13)(14,15)/rA:35cCCOCCCCCCCOCCNCOCOCCCCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;s14;d15;s12s15;d17;s14;s19;s20;d21;s22;d23;d20s24;s13;s26;d27;s28;d29;d26s30;s29;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₀N₂O₄
All Atoms:	65
Heavy Atoms:	35
Chiral Atoms:	2

ZAP Information [?]

Total:	12.3527
Area:	724.004
Solvation:	-5.74739
Coulombic:	-47.6977

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	470.56
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.62
LogP (Chemaxon):	5.17

Name Annotations

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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