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Chemical ID: 6118635
Chemical ID:
6118635
Name [?]:
N-[4-(2-methoxyphenyl)aminoimino-2-methyl-5-oxo-pyrazolidin-3-ylidene]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N=C2C(=NNc3ccccc3OC)C(=O)NN2C
InChi [?]:
InChI=1/C19H19N5O3/c1-12-8-10-13(11-9-12)18(25)20-17-16(19(26)23-24(17)2)22-21-14-6-4-5-7-15(14)27-3/h4-11,21H,1-3H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,27,22,17,18,16,19,3,7,4,6,2,5,15,20,12,11,8,23,10,14,13,25,26,9,24,21/E:(8,9)(10,11)/rA:27nCCCCCCCCONCCNNCCCCCCOCCONNC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;w12;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s12;d23;s23;s11s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N5O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.97399 |
Area: | 511.137 |
Solvation: | -3.80443 |
Coulombic: | -58.6287 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 365.386 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 3.1 |
LogP (Chemaxon): | 3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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