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Chemical ID: 4928170

Chemical ID:

4928170

Name [?]:

ethyl 4-benzotriazol-1-yl-1-methyl-pyrrole-2-carboxylate

SMILES [?]:

CCOC(=O)c1cc(cn1C)n2c3ccccc3nn2

InChi [?]:

InChI=1/C14H14N4O2/c1-3-20-14(19)13-8-10(9-17(13)2)18-12-7-5-4-6-11(12)15-16-18/h4-9H,3H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,11,2,16,15,17,14,7,9,8,18,13,6,4,19,20,10,12,5,3/rA:20nCCOCOCCCCNCNCCCCCCNN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s10;s8;s12;s13;d14;s15;d16;d13s17;s18;s12d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₄N₄O₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	9.18245
Area:	462.66
Solvation:	-2.38405
Coulombic:	-31.982

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	270.287
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.31
LogP (Chemaxon):	2.07

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