(3R)-3-(aminomethyl)-1-(3-chloro-9,9-difluoro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-9-hydroxy-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(2-methylphenyl)butan-1-one;(3R)-3-(aminomethyl)-4-(3,4-difluorophenyl)-1-(3-methyl-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)butan-1-one;12-[(3R)-3-(aminomethyl)-4-(3-fluorophenyl)butanoyl]-3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-9-one

C128H127Cl5F8N18O8S6 — CID 161037083

About (3R)-3-(aminomethyl)-1-(3-chloro-9,9-difluoro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-9-hydroxy-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(2-methylphenyl)butan-1-one;(3R)-3-(aminomethyl)-4-(3,4-difluorophenyl)-1-(3-methyl-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)butan-1-one;12-[(3R)-3-(aminomethyl)-4-(3-fluorophenyl)butanoyl]-3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-9-one

(3R)-3-(aminomethyl)-1-(3-chloro-9,9-difluoro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-9-hydroxy-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(2-methylphenyl)butan-1-one;(3R)-3-(aminomethyl)-4-(3,4-difluorophenyl)-1-(3-methyl-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)butan-1-one;12-[(3R)-3-(aminomethyl)-4-(3-fluorophenyl)butanoyl]-3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-9-one (PubChem CID 161037083) has the molecular formula C128H127Cl5F8N18O8S6 and a molecular weight of 2567.19 g/mol. Its IUPAC name is (3R)-3-(aminomethyl)-1-(3-chloro-9,9-difluoro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-9-hydroxy-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(2-methylphenyl)butan-1-one;(3R)-3-(aminomethyl)-4-(3,4-difluorophenyl)-1-(3-methyl-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)butan-1-one;12-[(3R)-3-(aminomethyl)-4-(3-fluorophenyl)butanoyl]-3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-9-one.

Molecular Properties

• Compound Name: (3R)-3-(aminomethyl)-1-(3-chloro-9,9-difluoro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-9-hydroxy-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(2-methylphenyl)butan-1-one;(3R)-3-(aminomethyl)-4-(3,4-difluorophenyl)-1-(3-methyl-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)butan-1-one;12-[(3R)-3-(aminomethyl)-4-(3-fluorophenyl)butanoyl]-3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-9-one
• PubChem CID: 161037083
• Molecular Formula: C128H127Cl5F8N18O8S6
• Molecular Weight: 2567.19 g/mol
• Exact Mass: 2562.67
• IUPAC Name: (3R)-3-(aminomethyl)-1-(3-chloro-9,9-difluoro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-9-hydroxy-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(2-methylphenyl)butan-1-one;(3R)-3-(aminomethyl)-4-(3,4-difluorophenyl)-1-(3-methyl-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)butan-1-one;12-[(3R)-3-(aminomethyl)-4-(3-fluorophenyl)butanoyl]-3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-9-one
• SMILES: Cc1ccccc1C[C@@H](CN)CC(=O)c1cc2c(s1)CCCn1ncc(Cl)c1-2.Cc1cnn2c1-c1cc(C(=O)C[C@H](CN)Cc3ccc(F)c(F)c3)sc1CCC2.NC[C@@H](CC(=O)c1cc2c(s1)C(=O)CCn1ncc(Cl)c1-2)Cc1cccc(F)c1.NC[C@@H](CC(=O)c1cc2c(s1)C(F)(F)CCn1ncc(Cl)c1-2)Cc1cccc(F)c1.NC[C@@H](CC(=O)c1cc2c(s1)C(O)CCn1ncc(Cl)c1-2)Cc1cccc(F)c1.NC[C@@H](CC(=O)c1cc2c(s1)CCCn1ncc(Cl)c1-2)Cc1cccc(F)c1
• InChI: InChI=1S/C22H24ClN3OS.C22H23F2N3OS.C21H19ClF3N3OS.C21H21ClFN3O2S.C21H19ClFN3O2S.C21H21ClFN3OS/c1-14-5-2-3-6-16(14)9-15(12-24)10-19(27)21-11-17-20(28-21)7-4-8-26-22(17)18(23)13-25-26;1-13-12-26-27-6-2-3-20-16(22(13)27)10-21(29-20)19(28)9-15(11-25)7-14-4-5-17(23)18(24)8-14;22-16-11-27-28-5-4-21(24,25)20-15(19(16)28)9-18(30-20)17(29)8-13(10-26)6-12-2-1-3-14(23)7-12;2*22-16-11-25-26-5-4-17(27)21-15(20(16)26)9-19(29-21)18(28)8-13(10-24)6-12-2-1-3-14(23)7-12;22-17-12-25-26-6-2-5-19-16(21(17)26)10-20(28-19)18(27)9-14(11-24)7-13-3-1-4-15(23)8-13/h2-3,5-6,11,13,15H,4,7-10,12,24H2,1H3;4-5,8,10,12,15H,2-3,6-7,9,11,25H2,1H3;1-3,7,9,11,13H,4-6,8,10,26H2;1-3,7,9,11,13,17,27H,4-6,8,10,24H2;1-3,7,9,11,13H,4-6,8,10,24H2;1,3-4,8,10,12,14H,2,5-7,9,11,24H2/t2*15-;13-;13-,17?;13-;14-/m111111/s1
• InChIKey: UAJURCFJIXKVNF-UVJUPNOVSA-N
• XLogP: 28.09
• TPSA: 402.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 36
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2567.19
LogP ≤ 5	28.09
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(aminomethyl)-1-(3-chloro-9,9-difluoro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-9-hydroxy-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(2-methylphenyl)butan-1-one;(3R)-3-(aminomethyl)-4-(3,4-difluorophenyl)-1-(3-methyl-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)butan-1-one;12-[(3R)-3-(aminomethyl)-4-(3-fluorophenyl)butanoyl]-3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-9-one?

The IUPAC name of (3R)-3-(aminomethyl)-1-(3-chloro-9,9-difluoro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-9-hydroxy-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(2-methylphenyl)butan-1-one;(3R)-3-(aminomethyl)-4-(3,4-difluorophenyl)-1-(3-methyl-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)butan-1-one;12-[(3R)-3-(aminomethyl)-4-(3-fluorophenyl)butanoyl]-3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-9-one (CID 161037083) is (3R)-3-(aminomethyl)-1-(3-chloro-9,9-difluoro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-9-hydroxy-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(2-methylphenyl)butan-1-one;(3R)-3-(aminomethyl)-4-(3,4-difluorophenyl)-1-(3-methyl-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)butan-1-one;12-[(3R)-3-(aminomethyl)-4-(3-fluorophenyl)butanoyl]-3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-9-one.

What is the SMILES notation for (3R)-3-(aminomethyl)-1-(3-chloro-9,9-difluoro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-9-hydroxy-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(2-methylphenyl)butan-1-one;(3R)-3-(aminomethyl)-4-(3,4-difluorophenyl)-1-(3-methyl-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)butan-1-one;12-[(3R)-3-(aminomethyl)-4-(3-fluorophenyl)butanoyl]-3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-9-one?

The canonical SMILES for (3R)-3-(aminomethyl)-1-(3-chloro-9,9-difluoro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-9-hydroxy-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(2-methylphenyl)butan-1-one;(3R)-3-(aminomethyl)-4-(3,4-difluorophenyl)-1-(3-methyl-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)butan-1-one;12-[(3R)-3-(aminomethyl)-4-(3-fluorophenyl)butanoyl]-3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-9-one is Cc1ccccc1C[C@@H](CN)CC(=O)c1cc2c(s1)CCCn1ncc(Cl)c1-2.Cc1cnn2c1-c1cc(C(=O)C[C@H](CN)Cc3ccc(F)c(F)c3)sc1CCC2.NC[C@@H](CC(=O)c1cc2c(s1)C(=O)CCn1ncc(Cl)c1-2)Cc1cccc(F)c1.NC[C@@H](CC(=O)c1cc2c(s1)C(F)(F)CCn1ncc(Cl)c1-2)Cc1cccc(F)c1.NC[C@@H](CC(=O)c1cc2c(s1)C(O)CCn1ncc(Cl)c1-2)Cc1cccc(F)c1.NC[C@@H](CC(=O)c1cc2c(s1)CCCn1ncc(Cl)c1-2)Cc1cccc(F)c1.

What is the InChIKey of (3R)-3-(aminomethyl)-1-(3-chloro-9,9-difluoro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-9-hydroxy-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(2-methylphenyl)butan-1-one;(3R)-3-(aminomethyl)-4-(3,4-difluorophenyl)-1-(3-methyl-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)butan-1-one;12-[(3R)-3-(aminomethyl)-4-(3-fluorophenyl)butanoyl]-3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-9-one?

The InChIKey is UAJURCFJIXKVNF-UVJUPNOVSA-N. The full InChI is InChI=1S/C22H24ClN3OS.C22H23F2N3OS.C21H19ClF3N3OS.C21H21ClFN3O2S.C21H19ClFN3O2S.C21H21ClFN3OS/c1-14-5-2-3-6-16(14)9-15(12-24)10-19(27)21-11-17-20(28-21)7-4-8-26-22(17)18(23)13-25-26;1-13-12-26-27-6-2-3-20-16(22(13)27)10-21(29-20)19(28)9-15(11-25)7-14-4-5-17(23)18(24)8-14;22-16-11-27-28-5-4-21(24,25)20-15(19(16)28)9-18(30-20)17(29)8-13(10-26)6-12-2-1-3-14(23)7-12;2*22-16-11-25-26-5-4-17(27)21-15(20(16)26)9-19(29-21)18(28)8-13(10-24)6-12-2-1-3-14(23)7-12;22-17-12-25-26-6-2-5-19-16(21(17)26)10-20(28-19)18(27)9-14(11-24)7-13-3-1-4-15(23)8-13/h2-3,5-6,11,13,15H,4,7-10,12,24H2,1H3;4-5,8,10,12,15H,2-3,6-7,9,11,25H2,1H3;1-3,7,9,11,13H,4-6,8,10,26H2;1-3,7,9,11,13,17,27H,4-6,8,10,24H2;1-3,7,9,11,13H,4-6,8,10,24H2;1,3-4,8,10,12,14H,2,5-7,9,11,24H2/t2*15-;13-;13-,17?;13-;14-/m111111/s1.

What are the key properties of (3R)-3-(aminomethyl)-1-(3-chloro-9,9-difluoro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-9-hydroxy-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(2-methylphenyl)butan-1-one;(3R)-3-(aminomethyl)-4-(3,4-difluorophenyl)-1-(3-methyl-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)butan-1-one;12-[(3R)-3-(aminomethyl)-4-(3-fluorophenyl)butanoyl]-3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-9-one?

(3R)-3-(aminomethyl)-1-(3-chloro-9,9-difluoro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-9-hydroxy-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(2-methylphenyl)butan-1-one;(3R)-3-(aminomethyl)-4-(3,4-difluorophenyl)-1-(3-methyl-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)butan-1-one;12-[(3R)-3-(aminomethyl)-4-(3-fluorophenyl)butanoyl]-3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-9-one has a molecular weight of 2567.19 g/mol, XLogP of 28.09, 36 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-(aminomethyl)-1-(3-chloro-9,9-difluoro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-9-hydroxy-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(3-fluorophenyl)butan-1-one;(3R)-3-(aminomethyl)-1-(3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)-4-(2-methylphenyl)butan-1-one;(3R)-3-(aminomethyl)-4-(3,4-difluorophenyl)-1-(3-methyl-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-12-yl)butan-1-one;12-[(3R)-3-(aminomethyl)-4-(3-fluorophenyl)butanoyl]-3-chloro-11-thia-5,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,12-tetraen-9-one is sourced from PubChem (CID 161037083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).