1-[(2R)-4-[2-[(2S)-1-(3-bicyclo[3.1.0]hexanyloxy)propan-2-yl]oxy-7-(8-chloronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclohexyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclopentyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-spiro[3.3]heptan-2-yloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane

C140H176Cl4N24O12S8 — CID 167604198

About 1-[(2R)-4-[2-[(2S)-1-(3-bicyclo[3.1.0]hexanyloxy)propan-2-yl]oxy-7-(8-chloronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclohexyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclopentyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-spiro[3.3]heptan-2-yloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane

1-[(2R)-4-[2-[(2S)-1-(3-bicyclo[3.1.0]hexanyloxy)propan-2-yl]oxy-7-(8-chloronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclohexyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclopentyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-spiro[3.3]heptan-2-yloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane (PubChem CID 167604198) has the molecular formula C140H176Cl4N24O12S8 and a molecular weight of 2785.45 g/mol. Its IUPAC name is 1-[(2R)-4-[2-[(2S)-1-(3-bicyclo[3.1.0]hexanyloxy)propan-2-yl]oxy-7-(8-chloronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclohexyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclopentyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-spiro[3.3]heptan-2-yloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane.

Molecular Properties

• Compound Name: 1-[(2R)-4-[2-[(2S)-1-(3-bicyclo[3.1.0]hexanyloxy)propan-2-yl]oxy-7-(8-chloronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclohexyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclopentyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-spiro[3.3]heptan-2-yloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane
• PubChem CID: 167604198
• Molecular Formula: C140H176Cl4N24O12S8
• Molecular Weight: 2785.45 g/mol
• Exact Mass: 2781.04
• IUPAC Name: 1-[(2R)-4-[2-[(2S)-1-(3-bicyclo[3.1.0]hexanyloxy)propan-2-yl]oxy-7-(8-chloronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclohexyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclopentyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-spiro[3.3]heptan-2-yloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane
• SMILES: S.S.S.S.S.S.S.S.[C-]#[N+]C[C@H]1CN(c2nc(O[C@@H](C)COC3CC4(CCC4)C3)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(O[C@@H](C)COC3CC4CC4C3)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(O[C@@H](C)COC3CCCC3)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(O[C@@H](C)COC3CCCCC3)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)C=C
• InChI: InChI=1S/C36H41ClN6O3.C35H39ClN6O3.C35H41ClN6O3.C34H39ClN6O3.8H2S/c1-4-32(44)43-17-16-42(21-26(43)20-38-3)34-28-12-15-41(31-11-6-9-25-8-5-10-29(37)33(25)31)22-30(28)39-35(40-34)46-24(2)23-45-27-18-36(19-27)13-7-14-36;1-4-32(43)42-14-13-41(19-26(42)18-37-3)34-28-11-12-40(31-10-6-8-23-7-5-9-29(36)33(23)31)20-30(28)38-35(39-34)45-22(2)21-44-27-16-24-15-25(24)17-27;1-4-32(43)42-19-18-41(21-26(42)20-37-3)34-28-16-17-40(31-15-9-11-25-10-8-14-29(36)33(25)31)22-30(28)38-35(39-34)45-24(2)23-44-27-12-6-5-7-13-27;1-4-31(42)41-18-17-40(20-25(41)19-36-3)33-27-15-16-39(30-14-8-10-24-9-7-13-28(35)32(24)30)21-29(27)37-34(38-33)44-23(2)22-43-26-11-5-6-12-26;;;;;;;;/h4-6,8-11,24,26-27H,1,7,12-23H2,2H3;4-10,22,24-27H,1,11-21H2,2H3;4,8-11,14-15,24,26-27H,1,5-7,12-13,16-23H2,2H3;4,7-10,13-14,23,25-26H,1,5-6,11-12,15-22H2,2H3;8*1H2/t24-,26-;22-,24?,25?,26-,27?;24-,26-;23-,25-;;;;;;;;/m0000......../s1
• InChIKey: KDTSJGAHZFFUAS-ROIQIBMLSA-N
• XLogP: 24.32
• TPSA: 301.56 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 36
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2785.45
LogP ≤ 5	24.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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 1-[(2R)-4-[2-[(2S)-1-(3-bicyclo[3.1.0]hexanyloxy)propan-2-yl]oxy-7-(8-chloronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclohexyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclopentyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-spiro[3.3]heptan-2-yloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane?

The IUPAC name of 1-[(2R)-4-[2-[(2S)-1-(3-bicyclo[3.1.0]hexanyloxy)propan-2-yl]oxy-7-(8-chloronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclohexyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclopentyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-spiro[3.3]heptan-2-yloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane (CID 167604198) is 1-[(2R)-4-[2-[(2S)-1-(3-bicyclo[3.1.0]hexanyloxy)propan-2-yl]oxy-7-(8-chloronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclohexyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclopentyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-spiro[3.3]heptan-2-yloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane.

What is the SMILES notation for 1-[(2R)-4-[2-[(2S)-1-(3-bicyclo[3.1.0]hexanyloxy)propan-2-yl]oxy-7-(8-chloronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclohexyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclopentyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-spiro[3.3]heptan-2-yloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane?

The canonical SMILES for 1-[(2R)-4-[2-[(2S)-1-(3-bicyclo[3.1.0]hexanyloxy)propan-2-yl]oxy-7-(8-chloronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclohexyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclopentyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-spiro[3.3]heptan-2-yloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane is S.S.S.S.S.S.S.S.[C-]#[N+]C[C@H]1CN(c2nc(O[C@@H](C)COC3CC4(CCC4)C3)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(O[C@@H](C)COC3CC4CC4C3)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(O[C@@H](C)COC3CCCC3)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(O[C@@H](C)COC3CCCCC3)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)CCN1C(=O)C=C.

What is the InChIKey of 1-[(2R)-4-[2-[(2S)-1-(3-bicyclo[3.1.0]hexanyloxy)propan-2-yl]oxy-7-(8-chloronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclohexyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclopentyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-spiro[3.3]heptan-2-yloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane?

The InChIKey is KDTSJGAHZFFUAS-ROIQIBMLSA-N. The full InChI is InChI=1S/C36H41ClN6O3.C35H39ClN6O3.C35H41ClN6O3.C34H39ClN6O3.8H2S/c1-4-32(44)43-17-16-42(21-26(43)20-38-3)34-28-12-15-41(31-11-6-9-25-8-5-10-29(37)33(25)31)22-30(28)39-35(40-34)46-24(2)23-45-27-18-36(19-27)13-7-14-36;1-4-32(43)42-14-13-41(19-26(42)18-37-3)34-28-11-12-40(31-10-6-8-23-7-5-9-29(36)33(23)31)20-30(28)38-35(39-34)45-22(2)21-44-27-16-24-15-25(24)17-27;1-4-32(43)42-19-18-41(21-26(42)20-37-3)34-28-16-17-40(31-15-9-11-25-10-8-14-29(36)33(25)31)22-30(28)38-35(39-34)45-24(2)23-44-27-12-6-5-7-13-27;1-4-31(42)41-18-17-40(20-25(41)19-36-3)33-27-15-16-39(30-14-8-10-24-9-7-13-28(35)32(24)30)21-29(27)37-34(38-33)44-23(2)22-43-26-11-5-6-12-26;;;;;;;;/h4-6,8-11,24,26-27H,1,7,12-23H2,2H3;4-10,22,24-27H,1,11-21H2,2H3;4,8-11,14-15,24,26-27H,1,5-7,12-13,16-23H2,2H3;4,7-10,13-14,23,25-26H,1,5-6,11-12,15-22H2,2H3;8*1H2/t24-,26-;22-,24?,25?,26-,27?;24-,26-;23-,25-;;;;;;;;/m0000......../s1.

What are the key properties of 1-[(2R)-4-[2-[(2S)-1-(3-bicyclo[3.1.0]hexanyloxy)propan-2-yl]oxy-7-(8-chloronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclohexyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclopentyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-spiro[3.3]heptan-2-yloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane?

1-[(2R)-4-[2-[(2S)-1-(3-bicyclo[3.1.0]hexanyloxy)propan-2-yl]oxy-7-(8-chloronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclohexyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclopentyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-spiro[3.3]heptan-2-yloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane has a molecular weight of 2785.45 g/mol, XLogP of 24.32, 36 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-4-[2-[(2S)-1-(3-bicyclo[3.1.0]hexanyloxy)propan-2-yl]oxy-7-(8-chloronaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclohexyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-cyclopentyloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(2S)-1-spiro[3.3]heptan-2-yloxypropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane is sourced from PubChem (CID 167604198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).