Chemical ID: 5216174

CC(C)NC(=O)CCn1c(=O)c2ccccc2c(=O)n1C
Chemical ID:
5216174
Name [?]:
N-isopropyl-3-(3-methyl-1,4-dioxo-phthalazin-2-yl)-propanamide
SMILES [?]:
CC(C)NC(=O)CCn1c(=O)c2ccccc2c(=O)n1C
InChi [?]:
InChI=1/C15H19N3O3/c1-10(2)16-13(19)8-9-18-15(21)12-7-5-4-6-11(12)14(20)17(18)3/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,3,21,15,14,16,13,7,8,2,17,12,5,18,10,4,20,9,6,19,11/E:(1,2)/rA:21nCCCNCOCCNCOCCCCCCCONC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s9s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19N3O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.33353
Area:490.019
Solvation:-2.91695
Coulombic:-48.8697
Bond Count [?]
All:22
Single:16
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:289.33
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.0
LogP (Chemaxon):0.25

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Descriptor Annotations

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