Chemical ID: 5480799

CC(C(=O)NCc1ccc(cc1)OC)OC(=O)c2ccc3c(c2)nc4n(c3=O)CCC4
Chemical ID:
5480799
Name [?]:
None
SMILES [?]:
CC(C(=O)NCc1ccc(cc1)OC)OC(=O)c2ccc3c(c2)nc4n(c3=O)CCC4
InChi [?]:
InChI=1/C23H23N3O5/c1-14(21(27)24-13-15-5-8-17(30-2)9-6-15)31-23(29)16-7-10-18-19(12-16)25-20-4-3-11-26(20)22(18)28/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,14,30,31,8,12,19,9,11,20,29,23,6,2,7,18,10,21,22,25,3,27,16,5,24,26,4,28,17,13,15/E:(5,6)(8,9)/rA:31cCCCONCCCCCCCOCOCOCCCCCCNCNCOCCC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s2;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;d24;s25;s21s26;d27;s26;s29;s25s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23N3O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.2713
Area:665.006
Solvation:-5.35381
Coulombic:-70.0705
Bond Count [?]
All:34
Single:24
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:421.446
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.31
LogP (Chemaxon):1.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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