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Chemical ID: 5241670
Chemical ID:
5241670
Name [?]:
5-[methyl-[4-[methyl-(5-oxo-3,4-dihydropyrrol-2-yl)-amino]but-2-ynyl]amino]-3,4-dihydropyrrol-2-one
SMILES [?]:
CN(CC#CCN(C)C1=NC(=O)CC1)C2=NC(=O)CC2
InChi [?]:
InChI=1/C14H18N4O2/c1-17(11-5-7-13(19)15-11)9-3-4-10-18(2)12-6-8-14(20)16-12/h5-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,4,5,20,14,19,13,3,6,15,9,17,11,16,10,2,7,18,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20nCNCCCCNCCNCOCCCNCOCC/rB:s1;s2;s3;t4;s5;s6;s7;s7;d9;s10;d11;s11;s9s13;s2;d15;s16;d17;s17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N4O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.47835 |
Area: | 509.16 |
Solvation: | -5.25065 |
Coulombic: | -38.1527 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 274.318 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.02 |
LogP (Chemaxon): | -0.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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