Chemical ID: 4811425

CCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3Cc6ccccc6Cl)F
Chemical ID:
4811425
Name [?]:
None
SMILES [?]:
CCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3Cc6ccccc6Cl)F
InChi [?]:
InChI=1/C27H18ClFN2O4/c1-2-30-20-10-6-4-8-18(20)27(26(30)34)22-23(32)17-13-16(29)11-12-21(17)35-24(22)25(33)31(27)14-15-7-3-5-9-19(15)28/h3-13H,2,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,30,7,31,6,29,8,32,5,19,20,17,27,28,18,16,9,33,4,21,13,14,23,24,11,10,34,35,3,26,15,25,12,22/rA:35cCCNCCCCCCCCOCCOCCCCCCOCCONCCCCCCCClF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;d11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s10s24;s26;s27;s28;d29;s30;d31;d28s32;s33;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H18ClFN2O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:10.2122
Area:603.533
Solvation:-4.87615
Coulombic:-55.8993
Bond Count [?]
All:40
Single:27
Double:13
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:488.894
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.45
LogP (Chemaxon):4.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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