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Chemical ID: 6612913

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

Chemical ID:

6612913

Name [?]:

1-(3-dimethylaminopropyl)-4-(4-ethoxy-2-methyl-benzoyl)-3-hydroxy-5-(4-methoxyphenyl)-5H-pyrrol-2-one

SMILES [?]:

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

InChi [?]:

InChI=1/C26H32N2O5/c1-6-33-20-12-13-21(17(2)16-20)24(29)22-23(18-8-10-19(32-5)11-9-18)28(26(31)25(22)30)15-7-14-27(3)4/h8-13,16,23,30H,6-7,14-15H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,10,31,32,26,2,28,20,24,21,23,5,6,29,27,9,8,19,22,4,7,13,18,11,14,15,30,17,12,33,16,25,3/E:(3,4)(8,9)(10,11)/rA:33cCCOCCCCCCCCOCCCONCCCCCCCOCCCCNCCO/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;s17;s27;s28;s29;s30;s30;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₂N₂O₅
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	10.174
Area:	682.633
Solvation:	-6.89178
Coulombic:	-61.9081

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	452.543
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	4.1
LogP (Chemaxon):	-0.3

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