2-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-[4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;sulfane

C132H150Cl4F6N28O16S6 — CID 167581097

About 2-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-[4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;sulfane

2-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-[4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;sulfane (PubChem CID 167581097) has the molecular formula C132H150Cl4F6N28O16S6 and a molecular weight of 2833.03 g/mol. Its IUPAC name is 2-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-[4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;sulfane.

Molecular Properties

• Compound Name: 2-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-[4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;sulfane
• PubChem CID: 167581097
• Molecular Formula: C132H150Cl4F6N28O16S6
• Molecular Weight: 2833.03 g/mol
• Exact Mass: 2828.88
• IUPAC Name: 2-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-[4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;sulfane
• SMILES: C=C(F)C(=O)N1CCN(c2nc(OCC3(CN(C)C)CS(=O)(=O)C3)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)CC1CC#N.C=C(F)C(=O)N1CCN(c2nc(OCC3(CN(C)C)CS(=O)(=O)C3)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CC1CC#N.S.S.[C-]#[N+]C[C@H]1CN(c2nc(OCC3(CN(C)C)CS(=O)(=O)C3)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)CCN1C(=O)C(=C)F.[C-]#[N+]C[C@H]1CN(c2nc(OCC3(CN(C)C)CS(=O)(=O)C3)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)C(=C)F
• InChI: InChI=1S/2C33H36ClF2N7O4S.2C33H37ClFN7O4S.2H2S/c1-21(35)31(44)43-13-12-42(15-23(43)14-37-2)30-24-10-11-41(27-7-5-6-22-8-9-25(36)29(34)28(22)27)16-26(24)38-32(39-30)47-18-33(17-40(3)4)19-48(45,46)20-33;1-21(35)31(44)43-14-13-42(15-23(43)9-11-37)30-24-10-12-41(27-6-4-5-22-7-8-25(36)29(34)28(22)27)16-26(24)38-32(39-30)47-18-33(17-40(2)3)19-48(45,46)20-33;1-22(35)31(43)42-14-13-41(16-24(42)15-36-2)30-25-11-12-40(28-10-6-8-23-7-5-9-26(34)29(23)28)17-27(25)37-32(38-30)46-19-33(18-39(3)4)20-47(44,45)21-33;1-22(35)31(43)42-15-14-41(16-24(42)10-12-36)30-25-11-13-40(28-9-5-7-23-6-4-8-26(34)29(23)28)17-27(25)37-32(38-30)46-19-33(18-39(2)3)20-47(44,45)21-33;;/h5-9,23H,1,10-20H2,3-4H3;4-8,23H,1,9-10,12-20H2,2-3H3;5-10,24H,1,11-21H2,3-4H3;4-9,24H,1,10-11,13-21H2,2-3H3;2*1H2/t23-;;24-;;;/m0.0.../s1
• InChIKey: HEPOYCWFZGDEHC-CDXLPGSYSA-N
• XLogP: 14.98
• TPSA: 453.02 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 36
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2833.03
LogP ≤ 5	14.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-[4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;sulfane?

The IUPAC name of 2-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-[4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;sulfane (CID 167581097) is 2-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-[4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;sulfane.

What is the SMILES notation for 2-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-[4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;sulfane?

The canonical SMILES for 2-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-[4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;sulfane is C=C(F)C(=O)N1CCN(c2nc(OCC3(CN(C)C)CS(=O)(=O)C3)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)CC1CC#N.C=C(F)C(=O)N1CCN(c2nc(OCC3(CN(C)C)CS(=O)(=O)C3)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CC1CC#N.S.S.[C-]#[N+]C[C@H]1CN(c2nc(OCC3(CN(C)C)CS(=O)(=O)C3)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)CCN1C(=O)C(=C)F.[C-]#[N+]C[C@H]1CN(c2nc(OCC3(CN(C)C)CS(=O)(=O)C3)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)C(=C)F.

What is the InChIKey of 2-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-[4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;sulfane?

The InChIKey is HEPOYCWFZGDEHC-CDXLPGSYSA-N. The full InChI is InChI=1S/2C33H36ClF2N7O4S.2C33H37ClFN7O4S.2H2S/c1-21(35)31(44)43-13-12-42(15-23(43)14-37-2)30-24-10-11-41(27-7-5-6-22-8-9-25(36)29(34)28(22)27)16-26(24)38-32(39-30)47-18-33(17-40(3)4)19-48(45,46)20-33;1-21(35)31(44)43-14-13-42(15-23(43)9-11-37)30-24-10-12-41(27-6-4-5-22-7-8-25(36)29(34)28(22)27)16-26(24)38-32(39-30)47-18-33(17-40(2)3)19-48(45,46)20-33;1-22(35)31(43)42-14-13-41(16-24(42)15-36-2)30-25-11-12-40(28-10-6-8-23-7-5-9-26(34)29(23)28)17-27(25)37-32(38-30)46-19-33(18-39(3)4)20-47(44,45)21-33;1-22(35)31(43)42-15-14-41(16-24(42)10-12-36)30-25-11-13-40(28-9-5-7-23-6-4-8-26(34)29(23)28)17-27(25)37-32(38-30)46-19-33(18-39(2)3)20-47(44,45)21-33;;/h5-9,23H,1,10-20H2,3-4H3;4-8,23H,1,9-10,12-20H2,2-3H3;5-10,24H,1,11-21H2,3-4H3;4-9,24H,1,10-11,13-21H2,2-3H3;2*1H2/t23-;;24-;;;/m0.0.../s1.

What are the key properties of 2-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-[4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;sulfane?

2-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-[4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;sulfane has a molecular weight of 2833.03 g/mol, XLogP of 14.98, 36 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-[4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[[3-[(dimethylamino)methyl]-1,1-dioxothietan-3-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;sulfane is sourced from PubChem (CID 167581097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).