8-tert-butyl-3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane

C54H58Cl4N8O5S2 — CID 163955391

About 8-tert-butyl-3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane

8-tert-butyl-3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane (PubChem CID 163955391) has the molecular formula C54H58Cl4N8O5S2 and a molecular weight of 1105.05 g/mol. Its IUPAC name is 8-tert-butyl-3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane.

Molecular Properties

• Compound Name: 8-tert-butyl-3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane
• PubChem CID: 163955391
• Molecular Formula: C54H58Cl4N8O5S2
• Molecular Weight: 1105.05 g/mol
• Exact Mass: 1102.27
• IUPAC Name: 8-tert-butyl-3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane
• SMILES: Cc1nc2c(C(C)(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1-c1cc(Cl)cc(Cl)c1.Cc1nc2c(C(C)(C)C)c(C(=O)O)cnn2c1-c1cc(Cl)cc(Cl)c1.N[C@H]1CCOc2ccccc21.S.S
• InChI: InChI=1S/C27H26Cl2N4O2.C18H17Cl2N3O2.C9H11NO.2H2S/c1-15-24(16-11-17(28)13-18(29)12-16)33-25(31-15)23(27(2,3)4)20(14-30-33)26(34)32-21-9-10-35-22-8-6-5-7-19(21)22;1-9-15(10-5-11(19)7-12(20)6-10)23-16(22-9)14(18(2,3)4)13(8-21-23)17(24)25;10-8-5-6-11-9-4-2-1-3-7(8)9;;/h5-8,11-14,21H,9-10H2,1-4H3,(H,32,34);5-8H,1-4H3,(H,24,25);1-4,8H,5-6,10H2;2*1H2/t21-;;8-;;/m0.0../s1
• InChIKey: SCXADEHAXUHWCQ-TXRYEIFUSA-N
• XLogP: 13.26
• TPSA: 171.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1105.05
LogP ≤ 5	13.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane?

The IUPAC name of 8-tert-butyl-3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane (CID 163955391) is 8-tert-butyl-3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane.

What is the SMILES notation for 8-tert-butyl-3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane?

The canonical SMILES for 8-tert-butyl-3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane is Cc1nc2c(C(C)(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1-c1cc(Cl)cc(Cl)c1.Cc1nc2c(C(C)(C)C)c(C(=O)O)cnn2c1-c1cc(Cl)cc(Cl)c1.N[C@H]1CCOc2ccccc21.S.S.

What is the InChIKey of 8-tert-butyl-3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane?

The InChIKey is SCXADEHAXUHWCQ-TXRYEIFUSA-N. The full InChI is InChI=1S/C27H26Cl2N4O2.C18H17Cl2N3O2.C9H11NO.2H2S/c1-15-24(16-11-17(28)13-18(29)12-16)33-25(31-15)23(27(2,3)4)20(14-30-33)26(34)32-21-9-10-35-22-8-6-5-7-19(21)22;1-9-15(10-5-11(19)7-12(20)6-10)23-16(22-9)14(18(2,3)4)13(8-21-23)17(24)25;10-8-5-6-11-9-4-2-1-3-7(8)9;;/h5-8,11-14,21H,9-10H2,1-4H3,(H,32,34);5-8H,1-4H3,(H,24,25);1-4,8H,5-6,10H2;2*1H2/t21-;;8-;;/m0.0../s1.

What are the key properties of 8-tert-butyl-3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane?

8-tert-butyl-3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane has a molecular weight of 1105.05 g/mol, XLogP of 13.26, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-tert-butyl-3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylimidazo[1,2-b]pyridazine-7-carboxamide;8-tert-butyl-3-(3,5-dichlorophenyl)-2-methylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;sulfane is sourced from PubChem (CID 163955391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).