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Chemical ID: 4813616

Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccccc3)CCCN(C)C)O)OCc4ccccc4

Chemical ID:

4813616

Name [?]:

4-(4-benzyloxy-2-methyl-benzoyl)-1-(3-dimethylaminopropyl)-3-hydroxy-5-phenyl-5H-pyrrol-2-one

SMILES [?]:

Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccccc3)CCCN(C)C)O)OCc4ccccc4

InChi [?]:

InChI=1/C30H32N2O4/c1-21-19-24(36-20-22-11-6-4-7-12-22)15-16-25(21)28(33)26-27(23-13-8-5-9-14-23)32(30(35)29(26)34)18-10-17-31(2)3/h4-9,11-16,19,27,34H,10,17-18,20H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,26,27,34,19,33,35,18,20,23,32,36,17,21,5,6,24,22,3,30,2,31,16,4,7,10,15,8,11,12,25,14,9,28,13,29/E:(2,3)(6,7)(8,9)(11,12)(13,14)/rA:36cCCCCCCCCOCCCONCCCCCCCCCCNCCOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s14;s22;s23;s24;s25;s25;s11;s4;s29;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₃₂N₂O₄
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	1

ZAP Information [?]

Total:	12.5049
Area:	738.439
Solvation:	-5.95605
Coulombic:	-57.6108

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	484.586
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.47
LogP (Chemaxon):	1.41

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