Chemical ID: 4217622

COc1cc2c(cc1OC)CN(CC2)Cc3cccc(c3)Oc4ccccc4
Chemical ID:
4217622
Name [?]:
6,7-dimethoxy-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILES [?]:
COc1cc2c(cc1OC)CN(CC2)Cc3cccc(c3)Oc4ccccc4
InChi [?]:
InChI=1/C24H25NO3/c1-26-23-14-19-11-12-25(17-20(19)15-24(23)27-2)16-18-7-6-10-22(13-18)28-21-8-4-3-5-9-21/h3-10,13-15H,11-12,16-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,26,25,27,18,17,24,28,19,14,13,21,4,7,15,11,16,5,6,23,20,3,8,12,2,9,22/E:(4,5)(8,9)/rA:28cCOCCCCCCOCCNCCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s5s13;s12;s15;s16;d17;s18;d19;d16s20;s20;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25NO3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.17184
Area:601.244
Solvation:-5.85925
Coulombic:-28.8905
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:375.46
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.37
LogP (Chemaxon):4.62

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Descriptor Annotations

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