ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1,1-dioxo-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-d][1,2]thiazol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1-methyl-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]indol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][1]benzofuran-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]indol-7-yl]carbamate

C116H137F4N11O18S — CID 160833783

About ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1,1-dioxo-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-d][1,2]thiazol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1-methyl-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]indol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][1]benzofuran-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]indol-7-yl]carbamate

ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1,1-dioxo-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-d][1,2]thiazol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1-methyl-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]indol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][1]benzofuran-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]indol-7-yl]carbamate (PubChem CID 160833783) has the molecular formula C116H137F4N11O18S and a molecular weight of 2081.49 g/mol. Its IUPAC name is ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1,1-dioxo-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-d][1,2]thiazol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1-methyl-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]indol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][1]benzofuran-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]indol-7-yl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1,1-dioxo-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-d][1,2]thiazol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1-methyl-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]indol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][1]benzofuran-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]indol-7-yl]carbamate
• PubChem CID: 160833783
• Molecular Formula: C116H137F4N11O18S
• Molecular Weight: 2081.49 g/mol
• Exact Mass: 2079.98
• IUPAC Name: ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1,1-dioxo-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-d][1,2]thiazol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1-methyl-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]indol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][1]benzofuran-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]indol-7-yl]carbamate
• SMILES: CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]1[C@H]([C@H]2/C=C/c2ccc(-c3cccc(F)c3)cn2)[C@@H](CO)C(=O)N1C.CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]1[C@H]([C@H]2/C=C/c2ccc(-c3cccc(F)c3)cn2)[C@@H](CO)NS1(=O)=O.CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1NC(=O)[C@H](CO)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1.CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1OC(=O)[C@H](CO)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1
• InChI: InChI=1S/C30H36FN3O4.C29H34FN3O4.C29H33FN2O5.C28H34FN3O5S/c1-3-38-30(37)33-23-10-11-24-20(14-23)15-27-28(26(17-35)29(36)34(27)2)25(24)12-9-22-8-7-19(16-32-22)18-5-4-6-21(31)13-18;1-2-37-29(36)32-22-9-10-23-19(13-22)14-26-27(25(16-34)28(35)33-26)24(23)11-8-21-7-6-18(15-31-21)17-4-3-5-20(30)12-17;1-2-36-29(35)32-22-9-10-23-19(13-22)14-26-27(25(16-33)28(34)37-26)24(23)11-8-21-7-6-18(15-31-21)17-4-3-5-20(30)12-17;1-2-37-28(34)31-22-9-10-23-19(13-22)14-26-27(25(16-33)32-38(26,35)36)24(23)11-8-21-7-6-18(15-30-21)17-4-3-5-20(29)12-17/h4-9,12-13,16,20,23-28,35H,3,10-11,14-15,17H2,1-2H3,(H,33,37);3-8,11-12,15,19,22-27,34H,2,9-10,13-14,16H2,1H3,(H,32,36)(H,33,35);3-8,11-12,15,19,22-27,33H,2,9-10,13-14,16H2,1H3,(H,32,35);3-8,11-12,15,19,22-27,32-33H,2,9-10,13-14,16H2,1H3,(H,31,34)/b12-9+;3*11-8+/t20-,23+,24+,25-,26+,27+,28+;3*19-,22+,23+,24-,25+,26+,27+/m0000/s1
• InChIKey: SHDLJUOJGBNMNB-KSNYOGKESA-N
• XLogP: 17.02
• TPSA: 407.68 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2081.49
LogP ≤ 5	17.02
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1,1-dioxo-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-d][1,2]thiazol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1-methyl-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]indol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][1]benzofuran-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]indol-7-yl]carbamate?

The IUPAC name of ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1,1-dioxo-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-d][1,2]thiazol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1-methyl-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]indol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][1]benzofuran-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]indol-7-yl]carbamate (CID 160833783) is ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1,1-dioxo-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-d][1,2]thiazol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1-methyl-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]indol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][1]benzofuran-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]indol-7-yl]carbamate.

What is the SMILES notation for ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1,1-dioxo-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-d][1,2]thiazol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1-methyl-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]indol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][1]benzofuran-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]indol-7-yl]carbamate?

The canonical SMILES for ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1,1-dioxo-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-d][1,2]thiazol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1-methyl-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]indol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][1]benzofuran-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]indol-7-yl]carbamate is CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]1[C@H]([C@H]2/C=C/c2ccc(-c3cccc(F)c3)cn2)[C@@H](CO)C(=O)N1C.CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]1[C@H]([C@H]2/C=C/c2ccc(-c3cccc(F)c3)cn2)[C@@H](CO)NS1(=O)=O.CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1NC(=O)[C@H](CO)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1.CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1OC(=O)[C@H](CO)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1.

What is the InChIKey of ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1,1-dioxo-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-d][1,2]thiazol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1-methyl-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]indol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][1]benzofuran-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]indol-7-yl]carbamate?

The InChIKey is SHDLJUOJGBNMNB-KSNYOGKESA-N. The full InChI is InChI=1S/C30H36FN3O4.C29H34FN3O4.C29H33FN2O5.C28H34FN3O5S/c1-3-38-30(37)33-23-10-11-24-20(14-23)15-27-28(26(17-35)29(36)34(27)2)25(24)12-9-22-8-7-19(16-32-22)18-5-4-6-21(31)13-18;1-2-37-29(36)32-22-9-10-23-19(13-22)14-26-27(25(16-34)28(35)33-26)24(23)11-8-21-7-6-18(15-31-21)17-4-3-5-20(30)12-17;1-2-36-29(35)32-22-9-10-23-19(13-22)14-26-27(25(16-33)28(34)37-26)24(23)11-8-21-7-6-18(15-31-21)17-4-3-5-20(30)12-17;1-2-37-28(34)31-22-9-10-23-19(13-22)14-26-27(25(16-33)32-38(26,35)36)24(23)11-8-21-7-6-18(15-30-21)17-4-3-5-20(29)12-17/h4-9,12-13,16,20,23-28,35H,3,10-11,14-15,17H2,1-2H3,(H,33,37);3-8,11-12,15,19,22-27,34H,2,9-10,13-14,16H2,1H3,(H,32,36)(H,33,35);3-8,11-12,15,19,22-27,33H,2,9-10,13-14,16H2,1H3,(H,32,35);3-8,11-12,15,19,22-27,32-33H,2,9-10,13-14,16H2,1H3,(H,31,34)/b12-9+;3*11-8+/t20-,23+,24+,25-,26+,27+,28+;3*19-,22+,23+,24-,25+,26+,27+/m0000/s1.

What are the key properties of ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1,1-dioxo-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-d][1,2]thiazol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1-methyl-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]indol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][1]benzofuran-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]indol-7-yl]carbamate?

ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1,1-dioxo-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-d][1,2]thiazol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1-methyl-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]indol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][1]benzofuran-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]indol-7-yl]carbamate has a molecular weight of 2081.49 g/mol, XLogP of 17.02, 24 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1,1-dioxo-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydronaphtho[2,3-d][1,2]thiazol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-1-methyl-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]indol-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][1]benzofuran-7-yl]carbamate;ethyl N-[(3S,3aR,4S,4aR,7R,8aS,9aR)-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-3-(hydroxymethyl)-2-oxo-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f]indol-7-yl]carbamate is sourced from PubChem (CID 160833783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).