Chemical ID: 4810112

CN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3CCCO)F
Chemical ID:
4810112
Name [?]:
None
SMILES [?]:
CN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3CCCO)F
InChi [?]:
InChI=1/C22H17FN2O5/c1-24-15-6-3-2-5-14(15)22(21(24)29)17-18(27)13-11-12(23)7-8-16(13)30-19(17)20(28)25(22)9-4-10-26/h2-3,5-8,11,26H,4,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,27,7,4,18,19,26,28,16,17,15,8,3,20,12,13,22,23,10,9,30,2,25,29,14,24,11,21/rA:30cCNCCCCCCCCOCCOCCCCCCOCCONCCCOF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s9s23;s25;s26;s27;s28;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17FN2O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:8.30497
Area:575.407
Solvation:-6.08022
Coulombic:-69.9786
Bond Count [?]
All:34
Single:24
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:408.379
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.35
LogP (Chemaxon):1.21

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Descriptor Annotations

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