Chemical ID: 7080288

CCCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCOC)Cl
Chemical ID:
7080288
Name [?]:
None
SMILES [?]:
CCCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCOC)Cl
InChi [?]:
InChI=1/C23H22ClNO5/c1-3-10-29-16-6-4-5-14(12-16)20-19-21(26)17-13-15(24)7-8-18(17)30-22(19)23(27)25(20)9-11-28-2/h4-8,12-13,20H,3,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,7,8,6,18,19,26,3,27,10,16,9,17,5,15,20,12,11,13,22,23,30,25,14,24,28,4,21/rA:30cCCCOCCCCCCCCCOCCCCCCOCCONCCOCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;s28;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22ClNO5
All Atoms:52
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.7863
Area:650.551
Solvation:-5.47751
Coulombic:-50.6054
Bond Count [?]
All:33
Single:24
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:427.877
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.55
LogP (Chemaxon):3.57

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Descriptor Annotations

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