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Chemical ID: 7375913
Chemical ID:
7375913
Name [?]:
N-[2-(1H-indol-3-yl)-1-[(3-methyl-4-oxo-phthalazin-1-yl)carbonylaminocarbamoyl]ethyl]acetamide
SMILES [?]:
CC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)NNC(=O)c3c4ccccc4c(=O)n(n3)C
InChi [?]:
InChI=1/C23H22N6O4/c1-13(30)25-19(11-14-12-24-18-10-6-5-7-15(14)18)21(31)26-27-22(32)20-16-8-3-4-9-17(16)23(33)29(2)28-20/h3-10,12,19,24H,11H2,1-2H3,(H,25,30)(H,26,31)(H,27,32)
InChi Info:
AuxInfo=1/1/N:1,33,25,26,13,14,12,24,27,15,6,8,2,7,11,23,28,10,5,22,16,20,29,9,4,18,19,32,31,3,17,21,30/rA:33cCCONCCCCNCCCCCCCONNCOCCCCCCCCONNC/rB:s1;d2;s2;s4;s5;s6;d7;s8;s9;s7s10;d11;s12;d13;d10s14;s5;d16;s16;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;d29;s29;d22s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N6O4 |
All Atoms: | 55 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.4998 |
Area: | 673.515 |
Solvation: | -5.33811 |
Coulombic: | -83.8208 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 446.459 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 2.28 |
LogP (Chemaxon): | 1.03 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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