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Chemical ID: 6650192

Cc1ccc(n1c2ccc(cc2)C(=O)NN=Cc3ccc4c(c3)OCCO4)C

Chemical ID:

6650192

Name [?]:

4-(2,5-dimethylpyrrol-1-yl)-N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylmethyleneamino)benzamide

SMILES [?]:

Cc1ccc(n1c2ccc(cc2)C(=O)NN=Cc3ccc4c(c3)OCCO4)C

InChi [?]:

InChI=1/C22H21N3O3/c1-15-3-4-16(2)25(15)19-8-6-18(7-9-19)22(26)24-23-14-17-5-10-20-21(13-17)28-12-11-27-20/h3-10,13-14H,11-12H2,1-2H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,28,3,4,19,9,11,8,12,20,26,25,23,17,2,5,18,10,7,21,22,13,16,15,6,14,27,24/E:(1,2)(3,4)(6,7)(8,9)(15,16)/rA:28nCCCCCNCCCCCCCONNCCCCCCCOCCOC/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;s25;s21s26;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₁N₃O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	9.7635
Area:	591.506
Solvation:	-5.02414
Coulombic:	-40.3067

Bond Count [?]

All:	31
Single:	21
Double:	10
Rotors:	5
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	375.421
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.75
LogP (Chemaxon):	3.25

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