4-(benzenesulfinyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-[benzenesulfonyl-(1-methylindazol-4-yl)methyl]-7-methyl-10-[(1-methylindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-chloro-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4,7-dimethyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(2-phenyl-1,3-dithiolan-2-yl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-phenylsulfanyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(1-methylindazol-4-yl)methyl]-4-(1-phenylcyclopropyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one

C144H119ClN34O13S12 — CID 159630931

About 4-(benzenesulfinyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-[benzenesulfonyl-(1-methylindazol-4-yl)methyl]-7-methyl-10-[(1-methylindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-chloro-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4,7-dimethyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(2-phenyl-1,3-dithiolan-2-yl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-phenylsulfanyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(1-methylindazol-4-yl)methyl]-4-(1-phenylcyclopropyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one

4-(benzenesulfinyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-[benzenesulfonyl-(1-methylindazol-4-yl)methyl]-7-methyl-10-[(1-methylindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-chloro-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4,7-dimethyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(2-phenyl-1,3-dithiolan-2-yl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-phenylsulfanyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(1-methylindazol-4-yl)methyl]-4-(1-phenylcyclopropyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one (PubChem CID 159630931) has the molecular formula C144H119ClN34O13S12 and a molecular weight of 2954.02 g/mol. Its IUPAC name is 4-(benzenesulfinyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-[benzenesulfonyl-(1-methylindazol-4-yl)methyl]-7-methyl-10-[(1-methylindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-chloro-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4,7-dimethyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(2-phenyl-1,3-dithiolan-2-yl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-phenylsulfanyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(1-methylindazol-4-yl)methyl]-4-(1-phenylcyclopropyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one.

Molecular Properties

• Compound Name: 4-(benzenesulfinyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-[benzenesulfonyl-(1-methylindazol-4-yl)methyl]-7-methyl-10-[(1-methylindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-chloro-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4,7-dimethyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(2-phenyl-1,3-dithiolan-2-yl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-phenylsulfanyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(1-methylindazol-4-yl)methyl]-4-(1-phenylcyclopropyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
• PubChem CID: 159630931
• Molecular Formula: C144H119ClN34O13S12
• Molecular Weight: 2954.02 g/mol
• Exact Mass: 2950.60
• IUPAC Name: 4-(benzenesulfinyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-[benzenesulfonyl-(1-methylindazol-4-yl)methyl]-7-methyl-10-[(1-methylindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-chloro-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4,7-dimethyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(2-phenyl-1,3-dithiolan-2-yl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-phenylsulfanyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(1-methylindazol-4-yl)methyl]-4-(1-phenylcyclopropyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
• SMILES: COc1cccc(Cn2ncc3c4sc(C5(c6ccccc6)SCCS5)nc4n(C)c3c2=O)c1.COc1cccc(Cn2ncc3c4sc(S(=O)c5ccccc5)nc4n(C)c3c2=O)c1.COc1cccc(Cn2ncc3c4sc(Sc5ccccc5)nc4n(C)c3c2=O)c1.Cc1nc2c(s1)c1cn[nH]c(=O)c1n2C.Cn1c2nc(Cl)sc2c2cn[nH]c(=O)c21.Cn1ncc2c(Cn3ncc4c5sc(C(c6cccc7c6cnn7C)S(=O)(=O)c6ccccc6)nc5n(C)c4c3=O)cccc21.Cn1ncc2c(Cn3ncc4c5sc(C6(c7ccccc7)CC6)nc5n(C)c4c3=O)cccc21
• InChI: InChI=1S/C32H26N8O3S2.C26H22N6OS.C25H22N4O2S3.C22H18N4O3S2.C22H18N4O2S2.C9H8N4OS.C8H5ClN4OS/c1-37-27-24(17-35-40(32(27)41)18-19-9-7-13-25-22(19)15-33-38(25)2)28-30(37)36-31(44-28)29(45(42,43)20-10-5-4-6-11-20)21-12-8-14-26-23(21)16-34-39(26)3;1-30-21-19(22-23(30)29-25(34-22)26(11-12-26)17-8-4-3-5-9-17)14-28-32(24(21)33)15-16-7-6-10-20-18(16)13-27-31(20)2;1-28-20-19(14-26-29(23(20)30)15-16-7-6-10-18(13-16)31-2)21-22(28)27-24(34-21)25(32-11-12-33-25)17-8-4-3-5-9-17;1-25-18-17(12-23-26(21(18)27)13-14-7-6-8-15(11-14)29-2)19-20(25)24-22(30-19)31(28)16-9-4-3-5-10-16;1-25-18-17(19-20(25)24-22(30-19)29-16-9-4-3-5-10-16)12-23-26(21(18)27)13-14-7-6-8-15(11-14)28-2;1-4-11-8-7(15-4)5-3-10-12-9(14)6(5)13(8)2;1-13-4-3(2-10-12-7(4)14)5-6(13)11-8(9)15-5/h4-17,29H,18H2,1-3H3;2*3-10,13-14H,11-12,15H2,1-2H3;3-12H,13H2,1-2H3;3-12H,13H2,1-2H3;3H,1-2H3,(H,12,14);2H,1H3,(H,12,14)
• InChIKey: MPCPKRYQAXWSSH-UHFFFAOYSA-N
• XLogP: 25.00
• TPSA: 523.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 55
• Rotatable Bonds: 25
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2954.02
LogP ≤ 5	25.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfinyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-[benzenesulfonyl-(1-methylindazol-4-yl)methyl]-7-methyl-10-[(1-methylindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-chloro-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4,7-dimethyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(2-phenyl-1,3-dithiolan-2-yl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-phenylsulfanyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(1-methylindazol-4-yl)methyl]-4-(1-phenylcyclopropyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?

The IUPAC name of 4-(benzenesulfinyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-[benzenesulfonyl-(1-methylindazol-4-yl)methyl]-7-methyl-10-[(1-methylindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-chloro-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4,7-dimethyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(2-phenyl-1,3-dithiolan-2-yl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-phenylsulfanyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(1-methylindazol-4-yl)methyl]-4-(1-phenylcyclopropyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one (CID 159630931) is 4-(benzenesulfinyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-[benzenesulfonyl-(1-methylindazol-4-yl)methyl]-7-methyl-10-[(1-methylindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-chloro-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4,7-dimethyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(2-phenyl-1,3-dithiolan-2-yl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-phenylsulfanyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(1-methylindazol-4-yl)methyl]-4-(1-phenylcyclopropyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one.

What is the SMILES notation for 4-(benzenesulfinyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-[benzenesulfonyl-(1-methylindazol-4-yl)methyl]-7-methyl-10-[(1-methylindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-chloro-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4,7-dimethyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(2-phenyl-1,3-dithiolan-2-yl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-phenylsulfanyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(1-methylindazol-4-yl)methyl]-4-(1-phenylcyclopropyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?

The canonical SMILES for 4-(benzenesulfinyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-[benzenesulfonyl-(1-methylindazol-4-yl)methyl]-7-methyl-10-[(1-methylindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-chloro-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4,7-dimethyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(2-phenyl-1,3-dithiolan-2-yl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-phenylsulfanyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(1-methylindazol-4-yl)methyl]-4-(1-phenylcyclopropyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one is COc1cccc(Cn2ncc3c4sc(C5(c6ccccc6)SCCS5)nc4n(C)c3c2=O)c1.COc1cccc(Cn2ncc3c4sc(S(=O)c5ccccc5)nc4n(C)c3c2=O)c1.COc1cccc(Cn2ncc3c4sc(Sc5ccccc5)nc4n(C)c3c2=O)c1.Cc1nc2c(s1)c1cn[nH]c(=O)c1n2C.Cn1c2nc(Cl)sc2c2cn[nH]c(=O)c21.Cn1ncc2c(Cn3ncc4c5sc(C(c6cccc7c6cnn7C)S(=O)(=O)c6ccccc6)nc5n(C)c4c3=O)cccc21.Cn1ncc2c(Cn3ncc4c5sc(C6(c7ccccc7)CC6)nc5n(C)c4c3=O)cccc21.

What is the InChIKey of 4-(benzenesulfinyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-[benzenesulfonyl-(1-methylindazol-4-yl)methyl]-7-methyl-10-[(1-methylindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-chloro-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4,7-dimethyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(2-phenyl-1,3-dithiolan-2-yl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-phenylsulfanyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(1-methylindazol-4-yl)methyl]-4-(1-phenylcyclopropyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?

The InChIKey is MPCPKRYQAXWSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N8O3S2.C26H22N6OS.C25H22N4O2S3.C22H18N4O3S2.C22H18N4O2S2.C9H8N4OS.C8H5ClN4OS/c1-37-27-24(17-35-40(32(27)41)18-19-9-7-13-25-22(19)15-33-38(25)2)28-30(37)36-31(44-28)29(45(42,43)20-10-5-4-6-11-20)21-12-8-14-26-23(21)16-34-39(26)3;1-30-21-19(22-23(30)29-25(34-22)26(11-12-26)17-8-4-3-5-9-17)14-28-32(24(21)33)15-16-7-6-10-20-18(16)13-27-31(20)2;1-28-20-19(14-26-29(23(20)30)15-16-7-6-10-18(13-16)31-2)21-22(28)27-24(34-21)25(32-11-12-33-25)17-8-4-3-5-9-17;1-25-18-17(12-23-26(21(18)27)13-14-7-6-8-15(11-14)29-2)19-20(25)24-22(30-19)31(28)16-9-4-3-5-10-16;1-25-18-17(19-20(25)24-22(30-19)29-16-9-4-3-5-10-16)12-23-26(21(18)27)13-14-7-6-8-15(11-14)28-2;1-4-11-8-7(15-4)5-3-10-12-9(14)6(5)13(8)2;1-13-4-3(2-10-12-7(4)14)5-6(13)11-8(9)15-5/h4-17,29H,18H2,1-3H3;2*3-10,13-14H,11-12,15H2,1-2H3;3-12H,13H2,1-2H3;3-12H,13H2,1-2H3;3H,1-2H3,(H,12,14);2H,1H3,(H,12,14).

What are the key properties of 4-(benzenesulfinyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-[benzenesulfonyl-(1-methylindazol-4-yl)methyl]-7-methyl-10-[(1-methylindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-chloro-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4,7-dimethyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(2-phenyl-1,3-dithiolan-2-yl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-phenylsulfanyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(1-methylindazol-4-yl)methyl]-4-(1-phenylcyclopropyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?

4-(benzenesulfinyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-[benzenesulfonyl-(1-methylindazol-4-yl)methyl]-7-methyl-10-[(1-methylindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-chloro-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4,7-dimethyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(2-phenyl-1,3-dithiolan-2-yl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-phenylsulfanyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(1-methylindazol-4-yl)methyl]-4-(1-phenylcyclopropyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one has a molecular weight of 2954.02 g/mol, XLogP of 25.00, 25 rotatable bonds, 2 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(benzenesulfinyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-[benzenesulfonyl-(1-methylindazol-4-yl)methyl]-7-methyl-10-[(1-methylindazol-4-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-chloro-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4,7-dimethyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(2-phenyl-1,3-dithiolan-2-yl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-phenylsulfanyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(1-methylindazol-4-yl)methyl]-4-(1-phenylcyclopropyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one is sourced from PubChem (CID 159630931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).