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Chemical ID: 7018762

Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)N(C)C)CCCN(C)C)O)C

Chemical ID:

7018762

Name [?]:

5-(4-dimethylaminophenyl)-1-(3-dimethylaminopropyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5H-pyrrol-2-one

SMILES [?]:

Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)N(C)C)CCCN(C)C)O)C

InChi [?]:

InChI=1/C26H33N3O3/c1-17-8-9-18(2)21(16-17)24(30)22-23(19-10-12-20(13-11-19)28(5)6)29(26(32)25(22)31)15-7-14-27(3)4/h8-13,16,23,31H,7,14-15H2,1-6H3

InChi Info:

AuxInfo=1/0/N:1,32,29,30,23,24,26,3,4,17,21,18,20,27,25,7,2,5,16,19,6,10,15,8,11,12,28,22,14,9,31,13/E:(3,4)(5,6)(10,11)(12,13)/rA:32cCCCCCCCCOCCCONCCCCCCCNCCCCCNCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s22;s14;s25;s26;s27;s28;s28;s11;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₃N₃O₃
All Atoms:	65
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	11.6059
Area:	658.42
Solvation:	-4.85464
Coulombic:	-54.4161

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	435.559
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.49
LogP (Chemaxon):	0.71

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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