6-[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-(2-fluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione

C138H107F13N12O5S6 — CID 158897314

IUPAC6-[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-(2-fluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione
SMILESCOc1ccc(-c2cncc(-c3cc4c5c(c3)CCN5C(=S)CC4)c2)cc1OC.FC(F)(F)Oc1ccc(-c2cncc(-c3cc4c5c(c3)CCN5C(=S)CC4)c2)cc1.FC(F)(F)Oc1cccc(-c2cncc(-c3cc4c5c(c3)CCN5C(=S)CC4)c2)c1.FC(F)(F)Oc1ccccc1-c1cncc(-c2cc3c4c(c2)CCN4C(=S)CC3)c1.FC(F)(F)c1ccccc1-c1cncc(-c2cc3c4c(c2)CCN4C(=S)CC3)c1.Fc1ccccc1-c1cncc(-c2cc3c4c(c2)CCN4C(=S)CC3)c1
InChIInChI=1S/C24H22N2O2S.3C23H17F3N2OS.C23H17F3N2S.C22H17FN2S/c1-27-21-5-3-15(12-22(21)28-2)19-11-20(14-25-13-19)18-9-16-4-6-23(29)26-8-7-17(10-18)24(16)26;24-23(25,26)29-20-4-1-14(2-5-20)18-11-19(13-27-12-18)17-9-15-3-6-21(30)28-8-7-16(10-17)22(15)28;24-23(25,26)29-20-3-1-2-14(11-20)18-10-19(13-27-12-18)17-8-15-4-5-21(30)28-7-6-16(9-17)22(15)28;24-23(25,26)29-20-4-2-1-3-19(20)18-11-17(12-27-13-18)16-9-14-5-6-21(30)28-8-7-15(10-16)22(14)28;24-23(25,26)20-4-2-1-3-19(20)18-11-17(12-27-13-18)16-9-14-5-6-21(29)28-8-7-15(10-16)22(14)28;23-20-4-2-1-3-19(20)18-11-17(12-24-13-18)16-9-14-5-6-21(26)25-8-7-15(10-16)22(14)25/h3,5,9-14H,4,6-8H2,1-2H3;1-2,4-5,9-13H,3,6-8H2;1-3,8-13H,4-7H2;1-4,9-13H,5-8H2;1-4,9-13H,5-8H2;1-4,9-13H,5-8H2
InChIKeyJEZLVIXRJWTSQF-UHFFFAOYSA-N
MW2452.83 g/mol
LogP34.18
Rot. Bonds17

About 6-[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-(2-fluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione

6-[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-(2-fluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione (PubChem CID 158897314) has the molecular formula C138H107F13N12O5S6 and a molecular weight of 2452.83 g/mol. Its IUPAC name is 6-[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-(2-fluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione.

Molecular Properties

Compound Name6-[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-(2-fluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione
PubChem CID158897314
Molecular FormulaC138H107F13N12O5S6
Molecular Weight2452.83 g/mol
Exact Mass2450.66
IUPAC Name6-[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-(2-fluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione
SMILESCOc1ccc(-c2cncc(-c3cc4c5c(c3)CCN5C(=S)CC4)c2)cc1OC.FC(F)(F)Oc1ccc(-c2cncc(-c3cc4c5c(c3)CCN5C(=S)CC4)c2)cc1.FC(F)(F)Oc1cccc(-c2cncc(-c3cc4c5c(c3)CCN5C(=S)CC4)c2)c1.FC(F)(F)Oc1ccccc1-c1cncc(-c2cc3c4c(c2)CCN4C(=S)CC3)c1.FC(F)(F)c1ccccc1-c1cncc(-c2cc3c4c(c2)CCN4C(=S)CC3)c1.Fc1ccccc1-c1cncc(-c2cc3c4c(c2)CCN4C(=S)CC3)c1
InChIInChI=1S/C24H22N2O2S.3C23H17F3N2OS.C23H17F3N2S.C22H17FN2S/c1-27-21-5-3-15(12-22(21)28-2)19-11-20(14-25-13-19)18-9-16-4-6-23(29)26-8-7-17(10-18)24(16)26;24-23(25,26)29-20-4-1-14(2-5-20)18-11-19(13-27-12-18)17-9-15-3-6-21(30)28-8-7-16(10-17)22(15)28;24-23(25,26)29-20-3-1-2-14(11-20)18-10-19(13-27-12-18)17-8-15-4-5-21(30)28-7-6-16(9-17)22(15)28;24-23(25,26)29-20-4-2-1-3-19(20)18-11-17(12-27-13-18)16-9-14-5-6-21(30)28-8-7-15(10-16)22(14)28;24-23(25,26)20-4-2-1-3-19(20)18-11-17(12-27-13-18)16-9-14-5-6-21(29)28-8-7-15(10-16)22(14)28;23-20-4-2-1-3-19(20)18-11-17(12-24-13-18)16-9-14-5-6-21(26)25-8-7-15(10-16)22(14)25/h3,5,9-14H,4,6-8H2,1-2H3;1-2,4-5,9-13H,3,6-8H2;1-3,8-13H,4-7H2;1-4,9-13H,5-8H2;1-4,9-13H,5-8H2;1-4,9-13H,5-8H2
InChIKeyJEZLVIXRJWTSQF-UHFFFAOYSA-N
XLogP34.18
TPSA142.93 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002452.83
LogP ≤ 534.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-(2-fluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-(2-fluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione?
The IUPAC name of 6-[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-(2-fluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione (CID 158897314) is 6-[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-(2-fluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione.
What is the SMILES notation for 6-[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-(2-fluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione?
The canonical SMILES for 6-[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-(2-fluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione is COc1ccc(-c2cncc(-c3cc4c5c(c3)CCN5C(=S)CC4)c2)cc1OC.FC(F)(F)Oc1ccc(-c2cncc(-c3cc4c5c(c3)CCN5C(=S)CC4)c2)cc1.FC(F)(F)Oc1cccc(-c2cncc(-c3cc4c5c(c3)CCN5C(=S)CC4)c2)c1.FC(F)(F)Oc1ccccc1-c1cncc(-c2cc3c4c(c2)CCN4C(=S)CC3)c1.FC(F)(F)c1ccccc1-c1cncc(-c2cc3c4c(c2)CCN4C(=S)CC3)c1.Fc1ccccc1-c1cncc(-c2cc3c4c(c2)CCN4C(=S)CC3)c1.
What is the InChIKey of 6-[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-(2-fluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione?
The InChIKey is JEZLVIXRJWTSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S.3C23H17F3N2OS.C23H17F3N2S.C22H17FN2S/c1-27-21-5-3-15(12-22(21)28-2)19-11-20(14-25-13-19)18-9-16-4-6-23(29)26-8-7-17(10-18)24(16)26;24-23(25,26)29-20-4-1-14(2-5-20)18-11-19(13-27-12-18)17-9-15-3-6-21(30)28-8-7-16(10-17)22(15)28;24-23(25,26)29-20-3-1-2-14(11-20)18-10-19(13-27-12-18)17-8-15-4-5-21(30)28-7-6-16(9-17)22(15)28;24-23(25,26)29-20-4-2-1-3-19(20)18-11-17(12-27-13-18)16-9-14-5-6-21(30)28-8-7-15(10-16)22(14)28;24-23(25,26)20-4-2-1-3-19(20)18-11-17(12-27-13-18)16-9-14-5-6-21(29)28-8-7-15(10-16)22(14)28;23-20-4-2-1-3-19(20)18-11-17(12-24-13-18)16-9-14-5-6-21(26)25-8-7-15(10-16)22(14)25/h3,5,9-14H,4,6-8H2,1-2H3;1-2,4-5,9-13H,3,6-8H2;1-3,8-13H,4-7H2;1-4,9-13H,5-8H2;1-4,9-13H,5-8H2;1-4,9-13H,5-8H2.
What are the key properties of 6-[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-(2-fluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione?
6-[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-(2-fluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione has a molecular weight of 2452.83 g/mol, XLogP of 34.18, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-(2-fluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione;6-[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione is sourced from PubChem (CID 158897314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).