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Chemical ID: 5216174
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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