About (9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-9-[4-(2,5-dimethylphenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-[2-(hydroxymethyl)phenyl]phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-10-(methoxymethyl)-9-[4-(2-methylphenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[2-[4-[(9S,10S)-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]phenyl]methanol
(9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-9-[4-(2,5-dimethylphenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-[2-(hydroxymethyl)phenyl]phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-10-(methoxymethyl)-9-[4-(2-methylphenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[2-[4-[(9S,10S)-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]phenyl]methanol (PubChem CID 158748120) has the molecular formula C177H206F4N12O20S6
and a molecular weight of 3090.05 g/mol. Its IUPAC name is (9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-9-[4-(2,5-dimethylphenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-[2-(hydroxymethyl)phenyl]phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-10-(methoxymethyl)-9-[4-(2-methylphenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[2-[4-[(9S,10S)-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]phenyl]methanol.
Frequently Asked Questions
What is the IUPAC name of (9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-9-[4-(2,5-dimethylphenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-[2-(hydroxymethyl)phenyl]phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-10-(methoxymethyl)-9-[4-(2-methylphenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[2-[4-[(9S,10S)-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]phenyl]methanol?
The IUPAC name of (9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-9-[4-(2,5-dimethylphenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-[2-(hydroxymethyl)phenyl]phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-10-(methoxymethyl)-9-[4-(2-methylphenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[2-[4-[(9S,10S)-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]phenyl]methanol (CID 158748120) is (9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-9-[4-(2,5-dimethylphenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-[2-(hydroxymethyl)phenyl]phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-10-(methoxymethyl)-9-[4-(2-methylphenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[2-[4-[(9S,10S)-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]phenyl]methanol.
What is the SMILES notation for (9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-9-[4-(2,5-dimethylphenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-[2-(hydroxymethyl)phenyl]phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-10-(methoxymethyl)-9-[4-(2-methylphenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[2-[4-[(9S,10S)-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]phenyl]methanol?
The canonical SMILES for (9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-9-[4-(2,5-dimethylphenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-[2-(hydroxymethyl)phenyl]phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-10-(methoxymethyl)-9-[4-(2-methylphenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[2-[4-[(9S,10S)-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]phenyl]methanol is COC[C@@H]1[C@@H](c2ccc(-c3cc(C)ccc3C)cc2)C2CN(S(=O)(=O)c3ccccc3C)CCCCN21.COC[C@@H]1[C@@H](c2ccc(-c3cccc(F)c3F)cc2)C2CN(S(=O)(=O)c3ccccc3C)CCCCN21.COC[C@@H]1[C@@H](c2ccc(-c3ccccc3C)cc2)C2CN(S(=O)(=O)c3ccccc3C)CCCCN21.COC[C@@H]1[C@@H](c2ccc(-c3ccccc3CO)cc2)C2CN(S(=O)(=O)c3ccccc3C)CCCCN21.Cc1ccccc1S(=O)(=O)N1CCCCN2C(C1)[C@H](c1ccc(-c3cccc(F)c3F)cc1)[C@H]2CO.Cc1ccccc1S(=O)(=O)N1CCCCN2C(C1)[C@H](c1ccc(-c3ccccc3CO)cc1)[C@H]2CO.
What is the InChIKey of (9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-9-[4-(2,5-dimethylphenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-[2-(hydroxymethyl)phenyl]phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-10-(methoxymethyl)-9-[4-(2-methylphenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[2-[4-[(9S,10S)-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]phenyl]methanol?
The InChIKey is INDBODNNKUKDST-VIDUNXTKSA-N. The full InChI is InChI=1S/C31H38N2O3S.C30H36N2O4S.C30H36N2O3S.C29H32F2N2O3S.C29H34N2O4S.C28H30F2N2O3S/c1-22-11-12-23(2)27(19-22)25-13-15-26(16-14-25)31-28-20-32(17-7-8-18-33(28)29(31)21-36-4)37(34,35)30-10-6-5-9-24(30)3;1-22-9-3-6-12-29(22)37(34,35)31-17-7-8-18-32-27(19-31)30(28(32)21-36-2)24-15-13-23(14-16-24)26-11-5-4-10-25(26)20-33;1-22-10-4-6-12-26(22)24-14-16-25(17-15-24)30-27-20-31(18-8-9-19-32(27)28(30)21-35-3)36(33,34)29-13-7-5-11-23(29)2;1-20-8-3-4-11-27(20)37(34,35)32-16-5-6-17-33-25(18-32)28(26(33)19-36-2)22-14-12-21(13-15-22)23-9-7-10-24(30)29(23)31;1-21-8-2-5-11-28(21)36(34,35)30-16-6-7-17-31-26(18-30)29(27(31)20-33)23-14-12-22(13-15-23)25-10-4-3-9-24(25)19-32;1-19-7-2-3-10-26(19)36(34,35)31-15-4-5-16-32-24(17-31)27(25(32)18-33)21-13-11-20(12-14-21)22-8-6-9-23(29)28(22)30/h5-6,9-16,19,28-29,31H,7-8,17-18,20-21H2,1-4H3;3-6,9-16,27-28,30,33H,7-8,17-21H2,1-2H3;4-7,10-17,27-28,30H,8-9,18-21H2,1-3H3;3-4,7-15,25-26,28H,5-6,16-19H2,1-2H3;2-5,8-15,26-27,29,32-33H,6-7,16-20H2,1H3;2-3,6-14,24-25,27,33H,4-5,15-18H2,1H3/t28?,29-,31+;2*27?,28-,30+;25?,26-,28+;26?,27-,29+;24?,25-,27+/m111111/s1.
What are the key properties of (9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-9-[4-(2,5-dimethylphenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-[2-(hydroxymethyl)phenyl]phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-10-(methoxymethyl)-9-[4-(2-methylphenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[2-[4-[(9S,10S)-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]phenyl]methanol?
(9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-9-[4-(2,5-dimethylphenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-[2-(hydroxymethyl)phenyl]phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-10-(methoxymethyl)-9-[4-(2-methylphenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[2-[4-[(9S,10S)-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]phenyl]methanol has a molecular weight of 3090.05 g/mol, XLogP of 28.74, 36 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-(2,3-difluorophenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-9-[4-(2,5-dimethylphenyl)phenyl]-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[(9S,10S)-9-[4-[2-(hydroxymethyl)phenyl]phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol;(9S,10S)-10-(methoxymethyl)-9-[4-(2-methylphenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane;[2-[4-[(9S,10S)-10-(methoxymethyl)-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]phenyl]methanol is sourced from PubChem (CID 158748120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).