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Chemical ID: 7382711

Cc1ccc(cc1)C2c3c(n[nH]c3C(=O)N2Cc4ccncc4)c5ccccc5O

Chemical ID:

7382711

Name [?]:

2-(2-hydroxyphenyl)-8-(p-tolyl)-7-(4-pyridylmethyl)-3,4,7-triazabicyclo[3.3.0]octa-2,9-dien-6-one

SMILES [?]:

Cc1ccc(cc1)C2c3c(n[nH]c3C(=O)N2Cc4ccncc4)c5ccccc5O

InChi [?]:

InChI=1/C24H20N4O2/c1-15-6-8-17(9-7-15)23-20-21(18-4-2-3-5-19(18)29)26-27-22(20)24(30)28(23)14-16-10-12-25-13-11-16/h2-13,23,29H,14H2,1H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,26,27,25,28,3,7,4,6,19,23,20,22,17,2,18,5,24,29,9,10,13,8,14,21,11,12,16,30,15/E:(6,7)(8,9)(10,11)(12,13)/rA:30cCCCCCCCCCCNNCCONCCCCNCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d9s12;s13;d14;s8s14;s16;s17;s18;d19;s20;d21;d18s22;s10;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀N₄O₂
All Atoms:	50
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	10.1332
Area:	589.118
Solvation:	-4.59473
Coulombic:	-49.4807

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	396.441
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.88
LogP (Chemaxon):	3.59

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

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

Chemical Mix	Source	External ID	Descriptor	Value