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Chemical ID: 6650104

Cc1ccc(n1c2ccc(cc2)C(=O)NN=Cc3ccc(c(c3)OC)OC)C

Chemical ID:

6650104

Name [?]:

N-[(3,4-dimethoxyphenyl)methyleneamino]-4-(2,5-dimethylpyrrol-1-yl)-benzamide

SMILES [?]:

Cc1ccc(n1c2ccc(cc2)C(=O)NN=Cc3ccc(c(c3)OC)OC)C

InChi [?]:

InChI=1/C22H23N3O3/c1-15-5-6-16(2)25(15)19-10-8-18(9-11-19)22(26)24-23-14-17-7-12-20(27-3)21(13-17)28-4/h5-14H,1-4H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,28,27,25,3,4,19,9,11,8,12,20,23,17,2,5,18,10,7,21,22,13,16,15,6,14,26,24/E:(1,2)(5,6)(8,9)(10,11)(15,16)/rA:28nCCCCCNCCCCCCCONNCCCCCCCOCOCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃N₃O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	8.27887
Area:	608.878
Solvation:	-6.94308
Coulombic:	-37.6645

Bond Count [?]

All:	30
Single:	20
Double:	10
Rotors:	7
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	377.436
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.69
LogP (Chemaxon):	3.43

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