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Chemical ID: 7036103

CCOc1cc(ccc1OCc2ccccc2)C3C(=C(C(=O)N3CCOC)O)C(=O)c4ccc(cc4)OC

Chemical ID:

7036103

Name [?]:

5-(4-benzyloxy-3-ethoxy-phenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(2-methoxyethyl)-5H-pyrrol-2-one

SMILES [?]:

CCOc1cc(ccc1OCc2ccccc2)C3C(=C(C(=O)N3CCOC)O)C(=O)c4ccc(cc4)OC

InChi [?]:

InChI=1/C30H31NO7/c1-4-37-25-18-22(12-15-24(25)38-19-20-8-6-5-7-9-20)27-26(29(33)30(34)31(27)16-17-35-2)28(32)21-10-13-23(36-3)14-11-21/h5-15,18,27,33H,4,16-17,19H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,27,38,2,15,14,16,13,17,32,36,7,33,35,8,24,25,5,11,12,31,6,34,9,4,19,18,29,20,21,23,30,28,22,26,37,3,10/E:(6,7)(8,9)(10,11)(13,14)/rA:38cCCOCCCCCCOCCCCCCCCCCCONCCOCOCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s6;s18;d19;s20;d21;s18s21;s23;s24;s25;s26;s20;s19;d29;s29;s31;d32;s33;d34;d31s35;s34;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₃₁NO₇
All Atoms:	69
Heavy Atoms:	38
Chiral Atoms:	1

ZAP Information [?]

Total:	10.0347
Area:	786.375
Solvation:	-9.6247
Coulombic:	-73.6189

Bond Count [?]

All:	41
Single:	29
Double:	12
Rotors:	12
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	517.57
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	4.62
LogP (Chemaxon):	3.42

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