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Chemical ID: 7444294
Chemical ID:
7444294
Name [?]:
None
SMILES [?]:
CCN1c2ccccc2NC3C1OC(=C3C(=O)OCC)C
InChi [?]:
InChI=1/C16H20N2O3/c1-4-18-12-9-7-6-8-11(12)17-14-13(16(19)20-5-2)10(3)21-15(14)18/h6-9,14-15,17H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,21,2,19,7,6,8,5,14,9,4,15,11,12,16,10,3,17,18,13/rA:21cCCNCCCCCCNCCOCCCOOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s3s11;s12;s13;s11d14;s15;d16;s16;s18;s19;s14;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O3 |
All Atoms: | 41 |
Heavy Atoms: | 21 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.16781 |
Area: | 467.691 |
Solvation: | -2.52446 |
Coulombic: | -47.3508 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 288.342 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.94 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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