(2S,3R,4R,5S,6R)-10-chloro-2,3-dihydroxy-N,N-dimethyl-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(5-chloro-3-hydroxy-2-pyridinyl)ethanone;(E)-1-(5-chloro-3-hydroxy-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one;7-chloro-3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-one;ethanol;4-methylbenzaldehyde;methyl (1R,9R)-5-chloro-1-hydroxy-12-oxo-10-phenyl-9-[4-(trifluoromethoxy)phenyl]-8-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylate;methyl (2R,4R,5S,6R)-10-chloro-2-hydroxy-3-oxo-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxylate;methyl (E)-3-phenylprop-2-enoate

C133H104Cl6F15N7O30 — CID 158213183

About (2S,3R,4R,5S,6R)-10-chloro-2,3-dihydroxy-N,N-dimethyl-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(5-chloro-3-hydroxy-2-pyridinyl)ethanone;(E)-1-(5-chloro-3-hydroxy-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one;7-chloro-3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-one;ethanol;4-methylbenzaldehyde;methyl (1R,9R)-5-chloro-1-hydroxy-12-oxo-10-phenyl-9-[4-(trifluoromethoxy)phenyl]-8-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylate;methyl (2R,4R,5S,6R)-10-chloro-2-hydroxy-3-oxo-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxylate;methyl (E)-3-phenylprop-2-enoate

(2S,3R,4R,5S,6R)-10-chloro-2,3-dihydroxy-N,N-dimethyl-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(5-chloro-3-hydroxy-2-pyridinyl)ethanone;(E)-1-(5-chloro-3-hydroxy-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one;7-chloro-3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-one;ethanol;4-methylbenzaldehyde;methyl (1R,9R)-5-chloro-1-hydroxy-12-oxo-10-phenyl-9-[4-(trifluoromethoxy)phenyl]-8-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylate;methyl (2R,4R,5S,6R)-10-chloro-2-hydroxy-3-oxo-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxylate;methyl (E)-3-phenylprop-2-enoate (PubChem CID 158213183) has the molecular formula C133H104Cl6F15N7O30 and a molecular weight of 2778.00 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-10-chloro-2,3-dihydroxy-N,N-dimethyl-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(5-chloro-3-hydroxy-2-pyridinyl)ethanone;(E)-1-(5-chloro-3-hydroxy-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one;7-chloro-3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-one;ethanol;4-methylbenzaldehyde;methyl (1R,9R)-5-chloro-1-hydroxy-12-oxo-10-phenyl-9-[4-(trifluoromethoxy)phenyl]-8-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylate;methyl (2R,4R,5S,6R)-10-chloro-2-hydroxy-3-oxo-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxylate;methyl (E)-3-phenylprop-2-enoate.

Molecular Properties

• Compound Name: (2S,3R,4R,5S,6R)-10-chloro-2,3-dihydroxy-N,N-dimethyl-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(5-chloro-3-hydroxy-2-pyridinyl)ethanone;(E)-1-(5-chloro-3-hydroxy-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one;7-chloro-3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-one;ethanol;4-methylbenzaldehyde;methyl (1R,9R)-5-chloro-1-hydroxy-12-oxo-10-phenyl-9-[4-(trifluoromethoxy)phenyl]-8-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylate;methyl (2R,4R,5S,6R)-10-chloro-2-hydroxy-3-oxo-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxylate;methyl (E)-3-phenylprop-2-enoate
• PubChem CID: 158213183
• Molecular Formula: C133H104Cl6F15N7O30
• Molecular Weight: 2778.00 g/mol
• Exact Mass: 2773.47
• IUPAC Name: (2S,3R,4R,5S,6R)-10-chloro-2,3-dihydroxy-N,N-dimethyl-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(5-chloro-3-hydroxy-2-pyridinyl)ethanone;(E)-1-(5-chloro-3-hydroxy-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one;7-chloro-3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-one;ethanol;4-methylbenzaldehyde;methyl (1R,9R)-5-chloro-1-hydroxy-12-oxo-10-phenyl-9-[4-(trifluoromethoxy)phenyl]-8-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylate;methyl (2R,4R,5S,6R)-10-chloro-2-hydroxy-3-oxo-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxylate;methyl (E)-3-phenylprop-2-enoate
• SMILES: CC(=O)c1ncc(Cl)cc1O.CCO.CN(C)C(=O)[C@H]1[C@@H](O)[C@@]2(O)c3ncc(Cl)cc3O[C@@]2(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccccc1.COC(=O)/C=C/c1ccccc1.COC(=O)C1C(c2ccccc2)[C@]2(c3ccc(OC(F)(F)F)cc3)Oc3cc(Cl)cnc3[C@@]1(O)C2=O.COC(=O)[C@H]1C(=O)[C@@]2(O)c3ncc(Cl)cc3O[C@@]2(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccccc1.Cc1ccc(C=O)cc1.O=C(/C=C/c1ccc(OC(F)(F)F)cc1)c1ncc(Cl)cc1O.O=C1c2ncc(Cl)cc2OC(c2ccc(OC(F)(F)F)cc2)C1O
• InChI: InChI=1S/C26H22ClF3N2O5.2C25H17ClF3NO6.C15H9ClF3NO4.C15H9ClF3NO3.C10H10O2.C8H8O.C7H6ClNO2.C2H6O/c1-32(2)23(34)19-20(14-6-4-3-5-7-14)25(15-8-10-17(11-9-15)36-26(28,29)30)24(35,22(19)33)21-18(37-25)12-16(27)13-31-21;1-34-22(32)18-19(13-5-3-2-4-6-13)24(14-7-9-16(10-8-14)35-25(27,28)29)23(33,21(18)31)20-17(36-24)11-15(26)12-30-20;1-34-21(31)19-18(13-5-3-2-4-6-13)24(14-7-9-16(10-8-14)35-25(27,28)29)22(32)23(19,33)20-17(36-24)11-15(26)12-30-20;16-8-5-10-11(20-6-8)12(21)13(22)14(23-10)7-1-3-9(4-2-7)24-15(17,18)19;16-10-7-13(22)14(20-8-10)12(21)6-3-9-1-4-11(5-2-9)23-15(17,18)19;1-12-10(11)8-7-9-5-3-2-4-6-9;1-7-2-4-8(6-9)5-3-7;1-4(10)7-6(11)2-5(8)3-9-7;1-2-3/h3-13,19-20,22,33,35H,1-2H3;2*2-12,18-19,33H,1H3;1-6,13-14,22H;1-8,22H;2-8H,1H3;2-6H,1H3;2-3,11H,1H3;3H,2H2,1H3/b;;;;6-3+;8-7+;;;/t19-,20-,22-,24+,25+;18-,19-,23+,24+;18?,19?,23-,24+;;;;;;/m111....../s1
• InChIKey: GCIBYDJCNPBSHP-GDADQTLXSA-N
• XLogP: 25.37
• TPSA: 523.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 22
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2778.00
LogP ≤ 5	25.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-10-chloro-2,3-dihydroxy-N,N-dimethyl-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(5-chloro-3-hydroxy-2-pyridinyl)ethanone;(E)-1-(5-chloro-3-hydroxy-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one;7-chloro-3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-one;ethanol;4-methylbenzaldehyde;methyl (1R,9R)-5-chloro-1-hydroxy-12-oxo-10-phenyl-9-[4-(trifluoromethoxy)phenyl]-8-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylate;methyl (2R,4R,5S,6R)-10-chloro-2-hydroxy-3-oxo-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxylate;methyl (E)-3-phenylprop-2-enoate?

The IUPAC name of (2S,3R,4R,5S,6R)-10-chloro-2,3-dihydroxy-N,N-dimethyl-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(5-chloro-3-hydroxy-2-pyridinyl)ethanone;(E)-1-(5-chloro-3-hydroxy-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one;7-chloro-3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-one;ethanol;4-methylbenzaldehyde;methyl (1R,9R)-5-chloro-1-hydroxy-12-oxo-10-phenyl-9-[4-(trifluoromethoxy)phenyl]-8-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylate;methyl (2R,4R,5S,6R)-10-chloro-2-hydroxy-3-oxo-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxylate;methyl (E)-3-phenylprop-2-enoate (CID 158213183) is (2S,3R,4R,5S,6R)-10-chloro-2,3-dihydroxy-N,N-dimethyl-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(5-chloro-3-hydroxy-2-pyridinyl)ethanone;(E)-1-(5-chloro-3-hydroxy-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one;7-chloro-3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-one;ethanol;4-methylbenzaldehyde;methyl (1R,9R)-5-chloro-1-hydroxy-12-oxo-10-phenyl-9-[4-(trifluoromethoxy)phenyl]-8-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylate;methyl (2R,4R,5S,6R)-10-chloro-2-hydroxy-3-oxo-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxylate;methyl (E)-3-phenylprop-2-enoate.

What is the SMILES notation for (2S,3R,4R,5S,6R)-10-chloro-2,3-dihydroxy-N,N-dimethyl-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(5-chloro-3-hydroxy-2-pyridinyl)ethanone;(E)-1-(5-chloro-3-hydroxy-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one;7-chloro-3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-one;ethanol;4-methylbenzaldehyde;methyl (1R,9R)-5-chloro-1-hydroxy-12-oxo-10-phenyl-9-[4-(trifluoromethoxy)phenyl]-8-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylate;methyl (2R,4R,5S,6R)-10-chloro-2-hydroxy-3-oxo-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxylate;methyl (E)-3-phenylprop-2-enoate?

The canonical SMILES for (2S,3R,4R,5S,6R)-10-chloro-2,3-dihydroxy-N,N-dimethyl-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(5-chloro-3-hydroxy-2-pyridinyl)ethanone;(E)-1-(5-chloro-3-hydroxy-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one;7-chloro-3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-one;ethanol;4-methylbenzaldehyde;methyl (1R,9R)-5-chloro-1-hydroxy-12-oxo-10-phenyl-9-[4-(trifluoromethoxy)phenyl]-8-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylate;methyl (2R,4R,5S,6R)-10-chloro-2-hydroxy-3-oxo-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxylate;methyl (E)-3-phenylprop-2-enoate is CC(=O)c1ncc(Cl)cc1O.CCO.CN(C)C(=O)[C@H]1[C@@H](O)[C@@]2(O)c3ncc(Cl)cc3O[C@@]2(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccccc1.COC(=O)/C=C/c1ccccc1.COC(=O)C1C(c2ccccc2)[C@]2(c3ccc(OC(F)(F)F)cc3)Oc3cc(Cl)cnc3[C@@]1(O)C2=O.COC(=O)[C@H]1C(=O)[C@@]2(O)c3ncc(Cl)cc3O[C@@]2(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccccc1.Cc1ccc(C=O)cc1.O=C(/C=C/c1ccc(OC(F)(F)F)cc1)c1ncc(Cl)cc1O.O=C1c2ncc(Cl)cc2OC(c2ccc(OC(F)(F)F)cc2)C1O.

What is the InChIKey of (2S,3R,4R,5S,6R)-10-chloro-2,3-dihydroxy-N,N-dimethyl-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(5-chloro-3-hydroxy-2-pyridinyl)ethanone;(E)-1-(5-chloro-3-hydroxy-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one;7-chloro-3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-one;ethanol;4-methylbenzaldehyde;methyl (1R,9R)-5-chloro-1-hydroxy-12-oxo-10-phenyl-9-[4-(trifluoromethoxy)phenyl]-8-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylate;methyl (2R,4R,5S,6R)-10-chloro-2-hydroxy-3-oxo-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxylate;methyl (E)-3-phenylprop-2-enoate?

The InChIKey is GCIBYDJCNPBSHP-GDADQTLXSA-N. The full InChI is InChI=1S/C26H22ClF3N2O5.2C25H17ClF3NO6.C15H9ClF3NO4.C15H9ClF3NO3.C10H10O2.C8H8O.C7H6ClNO2.C2H6O/c1-32(2)23(34)19-20(14-6-4-3-5-7-14)25(15-8-10-17(11-9-15)36-26(28,29)30)24(35,22(19)33)21-18(37-25)12-16(27)13-31-21;1-34-22(32)18-19(13-5-3-2-4-6-13)24(14-7-9-16(10-8-14)35-25(27,28)29)23(33,21(18)31)20-17(36-24)11-15(26)12-30-20;1-34-21(31)19-18(13-5-3-2-4-6-13)24(14-7-9-16(10-8-14)35-25(27,28)29)22(32)23(19,33)20-17(36-24)11-15(26)12-30-20;16-8-5-10-11(20-6-8)12(21)13(22)14(23-10)7-1-3-9(4-2-7)24-15(17,18)19;16-10-7-13(22)14(20-8-10)12(21)6-3-9-1-4-11(5-2-9)23-15(17,18)19;1-12-10(11)8-7-9-5-3-2-4-6-9;1-7-2-4-8(6-9)5-3-7;1-4(10)7-6(11)2-5(8)3-9-7;1-2-3/h3-13,19-20,22,33,35H,1-2H3;2*2-12,18-19,33H,1H3;1-6,13-14,22H;1-8,22H;2-8H,1H3;2-6H,1H3;2-3,11H,1H3;3H,2H2,1H3/b;;;;6-3+;8-7+;;;/t19-,20-,22-,24+,25+;18-,19-,23+,24+;18?,19?,23-,24+;;;;;;/m111....../s1.

What are the key properties of (2S,3R,4R,5S,6R)-10-chloro-2,3-dihydroxy-N,N-dimethyl-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(5-chloro-3-hydroxy-2-pyridinyl)ethanone;(E)-1-(5-chloro-3-hydroxy-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one;7-chloro-3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-one;ethanol;4-methylbenzaldehyde;methyl (1R,9R)-5-chloro-1-hydroxy-12-oxo-10-phenyl-9-[4-(trifluoromethoxy)phenyl]-8-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylate;methyl (2R,4R,5S,6R)-10-chloro-2-hydroxy-3-oxo-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxylate;methyl (E)-3-phenylprop-2-enoate?

(2S,3R,4R,5S,6R)-10-chloro-2,3-dihydroxy-N,N-dimethyl-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(5-chloro-3-hydroxy-2-pyridinyl)ethanone;(E)-1-(5-chloro-3-hydroxy-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one;7-chloro-3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-one;ethanol;4-methylbenzaldehyde;methyl (1R,9R)-5-chloro-1-hydroxy-12-oxo-10-phenyl-9-[4-(trifluoromethoxy)phenyl]-8-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylate;methyl (2R,4R,5S,6R)-10-chloro-2-hydroxy-3-oxo-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxylate;methyl (E)-3-phenylprop-2-enoate has a molecular weight of 2778.00 g/mol, XLogP of 25.37, 22 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4R,5S,6R)-10-chloro-2,3-dihydroxy-N,N-dimethyl-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxamide;1-(5-chloro-3-hydroxy-2-pyridinyl)ethanone;(E)-1-(5-chloro-3-hydroxy-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one;7-chloro-3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-one;ethanol;4-methylbenzaldehyde;methyl (1R,9R)-5-chloro-1-hydroxy-12-oxo-10-phenyl-9-[4-(trifluoromethoxy)phenyl]-8-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylate;methyl (2R,4R,5S,6R)-10-chloro-2-hydroxy-3-oxo-5-phenyl-6-[4-(trifluoromethoxy)phenyl]-7-oxa-12-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-4-carboxylate;methyl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 158213183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).