Chemical ID: 4587671

CCOC(=O)C1=C(NC(=C2C1c3ccccc3OC2=O)C)C
Chemical ID:
4587671
Name [?]:
None
SMILES [?]:
CCOC(=O)C1=C(NC(=C2C1c3ccccc3OC2=O)C)C
InChi [?]:
InChI=1/C17H17NO4/c1-4-21-16(19)13-9(2)18-10(3)14-15(13)11-7-5-6-8-12(11)22-17(14)20/h5-8,15,18H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,21,2,14,15,13,16,7,9,12,17,6,10,11,4,19,8,5,20,3,18/rA:22cCCOCOCCNCCCCCCCCCOCOCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s6s10;s11;s12;d13;s14;d15;d12s16;s17;s10s18;d19;s9;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.80427
Area:454.872
Solvation:-2.56754
Coulombic:-48.9836
Bond Count [?]
All:24
Single:17
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:299.321
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.45
LogP (Chemaxon):0.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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