Chemical ID: 4792516

COc1cc2c(cc1OC)C(N(CC2)C(=O)c3ccccc3F)c4ccccc4
Chemical ID:
4792516
Name [?]:
(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-fluorophenyl)-methanone
SMILES [?]:
COc1cc2c(cc1OC)C(N(CC2)C(=O)c3ccccc3F)c4ccccc4
InChi [?]:
InChI=1/C24H22FNO3/c1-28-21-14-17-12-13-26(24(27)18-10-6-7-11-20(18)25)23(16-8-4-3-5-9-16)19(17)15-22(21)29-2/h3-11,14-15,23H,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,27,26,28,19,20,25,29,18,21,14,13,4,7,24,5,17,6,22,3,8,11,15,23,12,16,2,9/E:(4,5)(8,9)/rA:29cCOCCCCCCOCCNCCCOCCCCCCFCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s5s13;s12;d15;s15;s17;d18;s19;d20;d17s21;s22;s11;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H22FNO3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:6.93505
Area:558.505
Solvation:-7.02757
Coulombic:-36.4262
Bond Count [?]
All:32
Single:22
Double:10
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:391.435
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.42
LogP (Chemaxon):4.43

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Descriptor Annotations

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