Chemical ID: 5136019

CCOC(=O)C1c2c(nc3ccccc3n2)N4C1CCC4
Chemical ID:
5136019
Name [?]:
None
SMILES [?]:
CCOC(=O)C1c2c(nc3ccccc3n2)N4C1CCC4
InChi [?]:
InChI=1/C16H17N3O2/c1-2-21-16(20)13-12-8-5-9-19(12)15-14(13)17-10-6-3-4-7-11(10)18-15/h3-4,6-7,12-13H,2,5,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,20,14,11,19,21,15,10,18,6,7,8,4,16,9,17,5,3/rA:21cCCOCOCCCNCCCCCCNNCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s8;s6s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17N3O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:3
ZAP Information [?]
Total:8.55081
Area:460.727
Solvation:-2.96736
Coulombic:-36.8846
Bond Count [?]
All:24
Single:18
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:283.325
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.77
LogP (Chemaxon):2.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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