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Chemical ID: 5272368

CC(C)Oc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)O)CCCN(C)C)O

Chemical ID:

5272368

Name [?]:

1-(3-dimethylaminopropyl)-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-4-(4-isopropoxybenzoyl)-5H-pyrrol-2-one

SMILES [?]:

CC(C)Oc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)O)CCCN(C)C)O

InChi [?]:

InChI=1/C26H32N2O6/c1-16(2)34-19-10-7-17(8-11-19)24(30)22-23(18-9-12-20(29)21(15-18)33-5)28(26(32)25(22)31)14-6-13-27(3)4/h7-12,15-16,23,29,31H,6,13-14H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,3,32,33,26,29,7,9,20,6,10,21,30,28,24,2,8,19,5,22,23,13,18,11,14,15,31,17,27,12,34,16,25,4/E:(1,2)(3,4)(7,8)(10,11)/rA:34cCCCOCCCCCCCOCCCONCCCCCCCOCOCCCNCCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s22;s17;s28;s29;s30;s31;s31;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₂N₂O₆
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	10.1177
Area:	730.986
Solvation:	-8.15692
Coulombic:	-77.6135

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	468.542
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.72
LogP (Chemaxon):	-0.67

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value