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Chemical ID: 5617482
Chemical ID:
5617482
Name [?]:
None
SMILES [?]:
CCNC(=O)NC(=O)CN1C(=O)C2(CCc3c2cccc3)NC1=O
InChi [?]:
InChI=1/C16H18N4O4/c1-2-17-14(23)18-12(21)9-20-13(22)16(19-15(20)24)8-7-10-5-3-4-6-11(10)16/h3-6H,2,7-9H2,1H3,(H,19,24)(H2,17,18,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,21,18,15,14,9,16,17,7,11,4,23,13,3,6,22,10,8,12,5,24/rA:24cCCNCONCOCNCOCCCCCCCCCNCO/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;s10;d11;s11;s13;s14;s15;s13s16;d17;s18;d19;d16s20;s13;s10s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N4O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.8489 |
Area: | 527.37 |
Solvation: | -5.33536 |
Coulombic: | -81.0139 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 330.339 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 0.38 |
LogP (Chemaxon): | 0.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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