Chemical ID: 5286072

CC(=O)N1CN(Cn2c1nc3c2cccc3)CCc4ccccc4
Chemical ID:
5286072
Name [?]:
None
SMILES [?]:
CC(=O)N1CN(Cn2c1nc3c2cccc3)CCc4ccccc4
InChi [?]:
InChI=1/C19H20N4O/c1-15(24)22-13-21(12-11-16-7-3-2-4-8-16)14-23-18-10-6-5-9-17(18)20-19(22)23/h2-10H,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,21,23,15,14,20,24,16,13,18,17,5,7,2,19,11,12,9,10,6,4,8,3/E:(3,4)(7,8)/rA:24cCCONCNCNCNCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;d9;s10;s8s11;d12;s13;d14;d11s15;s6;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N4O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.1652
Area:522.17
Solvation:-2.88907
Coulombic:-34.8949
Bond Count [?]
All:27
Single:19
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:320.388
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.29
LogP (Chemaxon):4.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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