Chemical ID: 4091165

CC1=NNC(=N)Nc2c1c(=O)n(c3c2cccc3)c4ccccc4
Chemical ID:
4091165
Name [?]:
None
SMILES [?]:
CC1=NNC(=N)Nc2c1c(=O)n(c3c2cccc3)c4ccccc4
InChi [?]:
InChI=1/C18H15N5O/c1-11-15-16(20-18(19)22-21-11)13-9-5-6-10-14(13)23(17(15)24)12-7-3-2-4-8-12/h2-10H,1H3,(H3,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,16,17,20,24,15,18,2,19,14,13,9,8,10,5,6,7,3,4,12,11/E:(3,4)(7,8)/rA:24nCCNNCNNCCCONCCCCCCCCCCCC/rB:s1;d2;s3;s4;w5;s5;s7;s2d8;s9;d10;s10;s12;s8s13;d14;s15;d16;d13s17;s12;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N5O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.34164
Area:485.496
Solvation:-2.79577
Coulombic:-50.4489
Bond Count [?]
All:27
Single:17
Double:10
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:317.345
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:4.02
LogP (Chemaxon):3.15

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Descriptor Annotations

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