Chemical ID: 3964592

c1ccnc(c1)NC(=O)Nc2cccc3c2C4CCCN4C3=O
Chemical ID:
3964592
Name [?]:
None
SMILES [?]:
c1ccnc(c1)NC(=O)Nc2cccc3c2C4CCCN4C3=O
InChi [?]:
InChI=1/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,13,19,14,12,18,6,3,20,15,11,17,5,16,22,8,4,10,7,21,23,9/rA:23cCCCNCCNCONCCCCCCCCCCNCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s18;s19;s17s20;s15s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N4O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:8.08526
Area:490.954
Solvation:-4.18858
Coulombic:-54.5017
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:308.335
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.8
LogP (Chemaxon):2.16

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Experimental Annotations

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Descriptor Annotations

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