(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;methane

C121H106Cl8F4N26O12 — CID 167536401

IUPAC(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;methane
SMILESC.C[C@@H]1CCC[C@@H](c2coc(-c3c(-n4cc(Cl)nn4)ccc(Cl)c3F)cc2=O)c2cc(ccn2)-c2c(ccn2C)NC1=O.C[C@@H]1CCC[C@H](c2coc(-c3c(-n4cc(Cl)nn4)ccc(Cl)c3F)cc2=O)c2cc(ccn2)-c2c(ccn2C)NC1=O.[2H]C([2H])(C)n1ncc2c1-c1ccnc(c1)[C@@H](c1coc(-c3c(-n4cc(Cl)nn4)ccc(Cl)c3F)cc1=O)CCC[C@@H](C)C(=O)N2.[2H]C([2H])(C)n1ncc2c1-c1ccnc(c1)[C@H](c1coc(-c3c(-n4cc(Cl)nn4)ccc(Cl)c3F)cc1=O)CCC[C@@H](C)C(=O)N2
InChIInChI=1S/2C30H26Cl2FN7O3.2C30H25Cl2FN6O3.CH4/c2*1-3-39-29-17-9-10-34-21(11-17)18(6-4-5-16(2)30(42)36-22(29)13-35-39)19-15-43-25(12-24(19)41)27-23(8-7-20(31)28(27)33)40-14-26(32)37-38-40;2*1-16-4-3-5-18(22-12-17(8-10-34-22)29-21(35-30(16)41)9-11-38(29)2)19-15-42-25(13-24(19)40)27-23(7-6-20(31)28(27)33)39-14-26(32)36-37-39;/h2*7-16,18H,3-6H2,1-2H3,(H,36,42);2*6-16,18H,3-5H2,1-2H3,(H,35,41);1H4/t16-,18+;16-,18-;16-,18+;16-,18-;/m1111./s1/i2*3D2;;;
InChIKeyAPSQWELEVWUHHM-UKHTXZSGSA-N
MW2479.99 g/mol
LogP26.89
Rot. Bonds14

About (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;methane

(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;methane (PubChem CID 167536401) has the molecular formula C121H106Cl8F4N26O12 and a molecular weight of 2479.99 g/mol. Its IUPAC name is (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;methane.

Molecular Properties

Compound Name(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;methane
PubChem CID167536401
Molecular FormulaC121H106Cl8F4N26O12
Molecular Weight2479.99 g/mol
Exact Mass2474.62
IUPAC Name(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;methane
SMILESC.C[C@@H]1CCC[C@@H](c2coc(-c3c(-n4cc(Cl)nn4)ccc(Cl)c3F)cc2=O)c2cc(ccn2)-c2c(ccn2C)NC1=O.C[C@@H]1CCC[C@H](c2coc(-c3c(-n4cc(Cl)nn4)ccc(Cl)c3F)cc2=O)c2cc(ccn2)-c2c(ccn2C)NC1=O.[2H]C([2H])(C)n1ncc2c1-c1ccnc(c1)[C@@H](c1coc(-c3c(-n4cc(Cl)nn4)ccc(Cl)c3F)cc1=O)CCC[C@@H](C)C(=O)N2.[2H]C([2H])(C)n1ncc2c1-c1ccnc(c1)[C@H](c1coc(-c3c(-n4cc(Cl)nn4)ccc(Cl)c3F)cc1=O)CCC[C@@H](C)C(=O)N2
InChIInChI=1S/2C30H26Cl2FN7O3.2C30H25Cl2FN6O3.CH4/c2*1-3-39-29-17-9-10-34-21(11-17)18(6-4-5-16(2)30(42)36-22(29)13-35-39)19-15-43-25(12-24(19)41)27-23(8-7-20(31)28(27)33)40-14-26(32)37-38-40;2*1-16-4-3-5-18(22-12-17(8-10-34-22)29-21(35-30(16)41)9-11-38(29)2)19-15-42-25(13-24(19)40)27-23(7-6-20(31)28(27)33)39-14-26(32)36-37-39;/h2*7-16,18H,3-6H2,1-2H3,(H,36,42);2*6-16,18H,3-5H2,1-2H3,(H,35,41);1H4/t16-,18+;16-,18-;16-,18+;16-,18-;/m1111./s1/i2*3D2;;;
InChIKeyAPSQWELEVWUHHM-UKHTXZSGSA-N
XLogP26.89
TPSA457.14 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds14
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002479.99
LogP ≤ 526.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Analyze (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;methane?
The IUPAC name of (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;methane (CID 167536401) is (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;methane.
What is the SMILES notation for (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;methane?
The canonical SMILES for (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;methane is C.C[C@@H]1CCC[C@@H](c2coc(-c3c(-n4cc(Cl)nn4)ccc(Cl)c3F)cc2=O)c2cc(ccn2)-c2c(ccn2C)NC1=O.C[C@@H]1CCC[C@H](c2coc(-c3c(-n4cc(Cl)nn4)ccc(Cl)c3F)cc2=O)c2cc(ccn2)-c2c(ccn2C)NC1=O.[2H]C([2H])(C)n1ncc2c1-c1ccnc(c1)[C@@H](c1coc(-c3c(-n4cc(Cl)nn4)ccc(Cl)c3F)cc1=O)CCC[C@@H](C)C(=O)N2.[2H]C([2H])(C)n1ncc2c1-c1ccnc(c1)[C@H](c1coc(-c3c(-n4cc(Cl)nn4)ccc(Cl)c3F)cc1=O)CCC[C@@H](C)C(=O)N2.
What is the InChIKey of (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;methane?
The InChIKey is APSQWELEVWUHHM-UKHTXZSGSA-N. The full InChI is InChI=1S/2C30H26Cl2FN7O3.2C30H25Cl2FN6O3.CH4/c2*1-3-39-29-17-9-10-34-21(11-17)18(6-4-5-16(2)30(42)36-22(29)13-35-39)19-15-43-25(12-24(19)41)27-23(8-7-20(31)28(27)33)40-14-26(32)37-38-40;2*1-16-4-3-5-18(22-12-17(8-10-34-22)29-21(35-30(16)41)9-11-38(29)2)19-15-42-25(13-24(19)40)27-23(7-6-20(31)28(27)33)39-14-26(32)36-37-39;/h2*7-16,18H,3-6H2,1-2H3,(H,36,42);2*6-16,18H,3-5H2,1-2H3,(H,35,41);1H4/t16-,18+;16-,18-;16-,18+;16-,18-;/m1111./s1/i2*3D2;;;.
What are the key properties of (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;methane?
(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;methane has a molecular weight of 2479.99 g/mol, XLogP of 26.89, 14 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1,1-dideuterioethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3,9-dimethyl-3,7,15-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;methane is sourced from PubChem (CID 167536401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).