2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(cyclopropylmethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(2-hydroxyethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-1-piperidin-1-ylethanone;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-propylacetamide;methane

C103H108F20N4O17S4 — CID 162249471

IUPAC2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(cyclopropylmethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(2-hydroxyethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-1-piperidin-1-ylethanone;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-propylacetamide;methane
SMILESC.CCCNC(=O)C[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3c(F)ccc(F)c3OC[C@H]2C1.O=C(C[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3c(F)ccc(F)c3OC[C@H]2C1)N1CCCCC1.O=C(C[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3c(F)ccc(F)c3OC[C@H]2C1)NCC1CC1.O=C(C[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3c(F)ccc(F)c3OC[C@H]2C1)NCCO
InChIInChI=1S/C27H28F5NO4S.C26H26F5NO4S.C25H26F5NO4S.C24H24F5NO5S.CH4/c28-21-8-9-22(29)25-24(21)26(38(35,36)20-6-4-18(5-7-20)27(30,31)32)11-10-17(14-19(26)16-37-25)15-23(34)33-12-2-1-3-13-33;27-20-7-8-21(28)24-23(20)25(37(34,35)19-5-3-17(4-6-19)26(29,30)31)10-9-16(11-18(25)14-36-24)12-22(33)32-13-15-1-2-15;1-2-11-31-21(32)13-15-9-10-24(36(33,34)18-5-3-16(4-6-18)25(28,29)30)17(12-15)14-35-23-20(27)8-7-19(26)22(23)24;25-18-5-6-19(26)22-21(18)23(36(33,34)17-3-1-15(2-4-17)24(27,28)29)8-7-14(11-16(23)13-35-22)12-20(32)30-9-10-31;/h4-9,17,19H,1-3,10-16H2;3-8,15-16,18H,1-2,9-14H2,(H,32,33);3-8,15,17H,2,9-14H2,1H3,(H,31,32);1-6,14,16,31H,7-13H2,(H,30,32);1H4/t17-,19-,26+;16-,18-,25+;15-,17-,24+;14-,16-,23+;/m1111./s1
InChIKeyZXUGSNDELRCTNG-UYRCRMFPSA-N
MW2182.24 g/mol
LogP21.22
Rot. Bonds22

About 2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(cyclopropylmethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(2-hydroxyethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-1-piperidin-1-ylethanone;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-propylacetamide;methane

2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(cyclopropylmethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(2-hydroxyethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-1-piperidin-1-ylethanone;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-propylacetamide;methane (PubChem CID 162249471) has the molecular formula C103H108F20N4O17S4 and a molecular weight of 2182.24 g/mol. Its IUPAC name is 2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(cyclopropylmethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(2-hydroxyethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-1-piperidin-1-ylethanone;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-propylacetamide;methane.

Molecular Properties

Compound Name2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(cyclopropylmethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(2-hydroxyethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-1-piperidin-1-ylethanone;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-propylacetamide;methane
PubChem CID162249471
Molecular FormulaC103H108F20N4O17S4
Molecular Weight2182.24 g/mol
Exact Mass2180.63
IUPAC Name2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(cyclopropylmethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(2-hydroxyethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-1-piperidin-1-ylethanone;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-propylacetamide;methane
SMILESC.CCCNC(=O)C[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3c(F)ccc(F)c3OC[C@H]2C1.O=C(C[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3c(F)ccc(F)c3OC[C@H]2C1)N1CCCCC1.O=C(C[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3c(F)ccc(F)c3OC[C@H]2C1)NCC1CC1.O=C(C[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3c(F)ccc(F)c3OC[C@H]2C1)NCCO
InChIInChI=1S/C27H28F5NO4S.C26H26F5NO4S.C25H26F5NO4S.C24H24F5NO5S.CH4/c28-21-8-9-22(29)25-24(21)26(38(35,36)20-6-4-18(5-7-20)27(30,31)32)11-10-17(14-19(26)16-37-25)15-23(34)33-12-2-1-3-13-33;27-20-7-8-21(28)24-23(20)25(37(34,35)19-5-3-17(4-6-19)26(29,30)31)10-9-16(11-18(25)14-36-24)12-22(33)32-13-15-1-2-15;1-2-11-31-21(32)13-15-9-10-24(36(33,34)18-5-3-16(4-6-18)25(28,29)30)17(12-15)14-35-23-20(27)8-7-19(26)22(23)24;25-18-5-6-19(26)22-21(18)23(36(33,34)17-3-1-15(2-4-17)24(27,28)29)8-7-14(11-16(23)13-35-22)12-20(32)30-9-10-31;/h4-9,17,19H,1-3,10-16H2;3-8,15-16,18H,1-2,9-14H2,(H,32,33);3-8,15,17H,2,9-14H2,1H3,(H,31,32);1-6,14,16,31H,7-13H2,(H,30,32);1H4/t17-,19-,26+;16-,18-,25+;15-,17-,24+;14-,16-,23+;/m1111./s1
InChIKeyZXUGSNDELRCTNG-UYRCRMFPSA-N
XLogP21.22
TPSA301.32 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002182.24
LogP ≤ 521.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(cyclopropylmethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(2-hydroxyethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-1-piperidin-1-ylethanone;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-propylacetamide;methane with MolForge

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Related Compounds

2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(cyclopropylmethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-ethylacetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-ethyl-N-methylacetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-methylacetamide
CID 158766807
2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]ethanol
CID 58950048
(6aR,8R,10aS)-1,4-difluoro-8-(2-methylsulfonylethyl)-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromene
CID 161357769
N-[2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]ethyl]-N-methylsulfonylmethanesulfonamide
CID 58950335
2-[(1R,2R,4S,7S,10S)-12,15-difluoro-5,5-dioxo-10-[4-(trifluoromethyl)phenyl]sulfonyl-17-oxa-5λ6-thia-6-azatetracyclo[8.8.0.02,7.011,16]octadeca-11,13,15-trien-4-yl]-1-pyrrolidin-1-ylethanone
CID 25189135
[(10aS)-10a-(4-chlorophenyl)sulfonyl-1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]methanol;ethane
CID 143514164
1-[(4aR,10bR)-7,10-difluoro-10b-[4-(trifluoromethyl)phenyl]sulfonyl-2,3,4a,5-tetrahydro-1H-chromeno[3,4-b]pyridin-4-yl]pentan-1-one
CID 58950675
(6aR,10aS)-1-fluoro-4-methyl-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromene
CID 70314424
[(6aR,8R,10aS)-10a-(4-chlorophenyl)sulfonyl-1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]methyl N-methylcarbamate
CID 58950437
(6aR,7R,8R,10aS)-1,4-difluoro-7-(hydroxymethyl)-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-ol
CID 58950137
[(7R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-7-yl]methanol
CID 70316175
N-[[(6aR,8R,10aS)-10a-(4-chlorophenyl)sulfonyl-1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]methyl]cyclopropanesulfonamide
CID 58950289

Frequently Asked Questions

What is the IUPAC name of 2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(cyclopropylmethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(2-hydroxyethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-1-piperidin-1-ylethanone;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-propylacetamide;methane?
The IUPAC name of 2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(cyclopropylmethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(2-hydroxyethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-1-piperidin-1-ylethanone;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-propylacetamide;methane (CID 162249471) is 2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(cyclopropylmethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(2-hydroxyethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-1-piperidin-1-ylethanone;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-propylacetamide;methane.
What is the SMILES notation for 2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(cyclopropylmethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(2-hydroxyethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-1-piperidin-1-ylethanone;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-propylacetamide;methane?
The canonical SMILES for 2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(cyclopropylmethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(2-hydroxyethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-1-piperidin-1-ylethanone;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-propylacetamide;methane is C.CCCNC(=O)C[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3c(F)ccc(F)c3OC[C@H]2C1.O=C(C[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3c(F)ccc(F)c3OC[C@H]2C1)N1CCCCC1.O=C(C[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3c(F)ccc(F)c3OC[C@H]2C1)NCC1CC1.O=C(C[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)c3c(F)ccc(F)c3OC[C@H]2C1)NCCO.
What is the InChIKey of 2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(cyclopropylmethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(2-hydroxyethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-1-piperidin-1-ylethanone;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-propylacetamide;methane?
The InChIKey is ZXUGSNDELRCTNG-UYRCRMFPSA-N. The full InChI is InChI=1S/C27H28F5NO4S.C26H26F5NO4S.C25H26F5NO4S.C24H24F5NO5S.CH4/c28-21-8-9-22(29)25-24(21)26(38(35,36)20-6-4-18(5-7-20)27(30,31)32)11-10-17(14-19(26)16-37-25)15-23(34)33-12-2-1-3-13-33;27-20-7-8-21(28)24-23(20)25(37(34,35)19-5-3-17(4-6-19)26(29,30)31)10-9-16(11-18(25)14-36-24)12-22(33)32-13-15-1-2-15;1-2-11-31-21(32)13-15-9-10-24(36(33,34)18-5-3-16(4-6-18)25(28,29)30)17(12-15)14-35-23-20(27)8-7-19(26)22(23)24;25-18-5-6-19(26)22-21(18)23(36(33,34)17-3-1-15(2-4-17)24(27,28)29)8-7-14(11-16(23)13-35-22)12-20(32)30-9-10-31;/h4-9,17,19H,1-3,10-16H2;3-8,15-16,18H,1-2,9-14H2,(H,32,33);3-8,15,17H,2,9-14H2,1H3,(H,31,32);1-6,14,16,31H,7-13H2,(H,30,32);1H4/t17-,19-,26+;16-,18-,25+;15-,17-,24+;14-,16-,23+;/m1111./s1.
What are the key properties of 2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(cyclopropylmethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(2-hydroxyethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-1-piperidin-1-ylethanone;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-propylacetamide;methane?
2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(cyclopropylmethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(2-hydroxyethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-1-piperidin-1-ylethanone;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-propylacetamide;methane has a molecular weight of 2182.24 g/mol, XLogP of 21.22, 22 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(cyclopropylmethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-(2-hydroxyethyl)acetamide;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-1-piperidin-1-ylethanone;2-[(6aR,8R,10aS)-1,4-difluoro-10a-[4-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-yl]-N-propylacetamide;methane is sourced from PubChem (CID 162249471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).