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Chemical ID: 5327358
Chemical ID:
5327358
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N4C2CCC4)OC
InChi [?]:
InChI=1/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,22,21,13,12,23,15,9,14,16,11,20,6,7,17,4,10,19,8,18,5,24,3/rA:25cCCOCOCCNCNCCCCCCCONCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6d9;s8;s11;d12;s13;d14;d11s15;s16;d17;s17;s7s19;s20;s21;s19s22;s14;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.53968 |
Area: | 513.325 |
Solvation: | -4.29344 |
Coulombic: | -54.9123 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 341.361 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.28 |
LogP (Chemaxon): | 0.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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