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Chemical ID: 3970815

Cc1c(cc(n1CCc2ccc(c(c2)OC)OC)c3ccc(cc3)OC)C(=O)N

Chemical ID:

3970815

Name [?]:

1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carboxamide

SMILES [?]:

Cc1c(cc(n1CCc2ccc(c(c2)OC)OC)c3ccc(cc3)OC)C(=O)N

InChi [?]:

InChI=1/C23H26N2O4/c1-15-19(23(24)26)14-20(17-6-8-18(27-2)9-7-17)25(15)12-11-16-5-10-21(28-3)22(13-16)29-4/h5-10,13-14H,11-12H2,1-4H3,(H2,24,26)

InChi Info:

AuxInfo=1/1/N:1,26,18,16,10,20,24,21,23,11,8,7,14,4,2,9,19,22,3,5,12,13,27,29,6,28,25,17,15/E:(6,7)(8,9)/rA:29nCCCCCNCCCCCCCCOCOCCCCCCCOCCON/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;s5;s19;d20;s21;d22;d19s23;s22;s25;s3;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₆N₂O₄
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	7.47256
Area:	594.918
Solvation:	-7.40038
Coulombic:	-53.1765

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	394.464
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.46
LogP (Chemaxon):	2.68

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

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

Chemical Mix	Source	External ID	Descriptor	Value