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Chemical ID: 6207813

CCOc1ccc(c(c1)C)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)C(C)C)Cc4cccnc4)O

Chemical ID:

6207813

Name [?]:

4-(4-ethoxy-2-methyl-benzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one

SMILES [?]:

CCOc1ccc(c(c1)C)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)C(C)C)Cc4cccnc4)O

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,26,27,10,2,31,30,21,23,20,24,5,6,32,9,34,28,25,8,29,22,19,4,7,13,18,11,14,15,33,17,12,35,16,3/E:(2,3)(8,9)(10,11)/rA:35cCCOCCCCCCCCOCCCONCCCCCCCCCCCCCCCNCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s7;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s22;s25;s25;s17;s28;s29;d30;s31;d32;d29s33;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₀N₂O₄
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	11.3468
Area:	682.604
Solvation:	-5.71831
Coulombic:	-56.0873

Bond Count [?]

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

Chemical Properties

Molecular Weight:	470.56
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.84
LogP (Chemaxon):	4.03

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