Chemical ID: 4700775

c1ccc(cc1)N2C(=O)NC3(N2)CCC4(CC3)OCCO4
Chemical ID:
4700775
Name [?]:
None
SMILES [?]:
c1ccc(cc1)N2C(=O)NC3(N2)CCC4(CC3)OCCO4
InChi [?]:
InChI=1/C15H19N3O3/c19-13-16-14(17-18(13)12-4-2-1-3-5-12)6-8-15(9-7-14)20-10-11-21-15/h1-5,17H,6-11H2,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,17,14,16,19,20,4,8,11,15,10,12,7,9,18,21/E:(2,3)(4,5)(6,7)(8,9)(10,11)(20,21)/rA:21nCCCCCCNCONCNCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s7s11;s11;s13;s14;s15;s11s16;s15;s18;s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19N3O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.73979
Area:458.711
Solvation:-3.72798
Coulombic:-51.1626
Bond Count [?]
All:24
Single:20
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:289.33
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.94
LogP (Chemaxon):2.12

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Descriptor Annotations

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