Chemical ID: 5327358

CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N4C2CCC4)OC
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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