1-[N-benzyl-S-(1-methylpyrazol-3-yl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[S-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-methylsulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;8-[(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)carbamoylamino]-1,2,3,5,6,7-hexahydro-s-indacene-4-carboxylic acid;bis(1-[[(6S)-6-(2-fluoroethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea);1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfonimidoyl]urea

C123H150F2N32O18S6 — CID 162154218

IUPAC1-[N-benzyl-S-(1-methylpyrazol-3-yl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[S-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-methylsulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;8-[(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)carbamoylamino]-1,2,3,5,6,7-hexahydro-s-indacene-4-carboxylic acid;bis(1-[[(6S)-6-(2-fluoroethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea);1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfonimidoyl]urea
SMILESCN=S(=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1cnn2c1OCCC2.Cn1ccc(S(=O)(=NCc2ccccc2)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.[H]N=S(=O)(NC(=O)Nc1c2c(c(C(=O)O)c3c1CCC3)CCC2)c1cnn2c1OCCC2.[H]N=S(=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1ccn(C)n1.[H]N=S(=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1cnn2c1OC[C@@H](NCCF)C2.[H]N=S(=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1cnn2c1OC[C@@H](NCCF)C2
InChIInChI=1S/C24H27N5O2S.2C21H27FN6O3S.C20H23N5O5S.C20H25N5O3S.C17H21N5O2S/c1-29-14-13-22(27-29)32(31,25-16-17-7-3-2-4-8-17)28-24(30)26-23-20-11-5-9-18(20)15-19-10-6-12-21(19)23;2*22-7-8-24-15-11-28-20(31-12-15)18(10-25-28)32(23,30)27-21(29)26-19-16-5-1-3-13(16)9-14-4-2-6-17(14)19;21-31(29,15-10-22-25-8-3-9-30-18(15)25)24-20(28)23-17-13-6-1-4-11(13)16(19(26)27)12-5-2-7-14(12)17;1-21-29(27,17-12-22-25-9-4-10-28-19(17)25)24-20(26)23-18-15-7-2-5-13(15)11-14-6-3-8-16(14)18;1-22-9-8-15(20-22)25(18,24)21-17(23)19-16-13-6-2-4-11(13)10-12-5-3-7-14(12)16/h2-4,7-8,13-15H,5-6,9-12,16H2,1H3,(H2,25,26,28,30,31);2*9-10,15,24H,1-8,11-12H2,(H3,23,26,27,29,30);10H,1-9H2,(H,26,27)(H3,21,23,24,28,29);11-12H,2-10H2,1H3,(H2,21,23,24,26,27);8-10H,2-7H2,1H3,(H3,18,19,21,23,24)/t;2*15-,32?;;;/m.00.../s1
InChIKeyZLPMGLWTDKLDLZ-AKYJNIITSA-N
MW2595.16 g/mol
LogP16.67
Rot. Bonds27

About 1-[N-benzyl-S-(1-methylpyrazol-3-yl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[S-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-methylsulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;8-[(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)carbamoylamino]-1,2,3,5,6,7-hexahydro-s-indacene-4-carboxylic acid;bis(1-[[(6S)-6-(2-fluoroethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea);1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfonimidoyl]urea

1-[N-benzyl-S-(1-methylpyrazol-3-yl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[S-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-methylsulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;8-[(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)carbamoylamino]-1,2,3,5,6,7-hexahydro-s-indacene-4-carboxylic acid;bis(1-[[(6S)-6-(2-fluoroethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea);1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfonimidoyl]urea (PubChem CID 162154218) has the molecular formula C123H150F2N32O18S6 and a molecular weight of 2595.16 g/mol. Its IUPAC name is 1-[N-benzyl-S-(1-methylpyrazol-3-yl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[S-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-methylsulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;8-[(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)carbamoylamino]-1,2,3,5,6,7-hexahydro-s-indacene-4-carboxylic acid;bis(1-[[(6S)-6-(2-fluoroethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea);1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfonimidoyl]urea.

Molecular Properties

Compound Name1-[N-benzyl-S-(1-methylpyrazol-3-yl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[S-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-methylsulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;8-[(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)carbamoylamino]-1,2,3,5,6,7-hexahydro-s-indacene-4-carboxylic acid;bis(1-[[(6S)-6-(2-fluoroethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea);1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfonimidoyl]urea
PubChem CID162154218
Molecular FormulaC123H150F2N32O18S6
Molecular Weight2595.16 g/mol
Exact Mass2593.01
IUPAC Name1-[N-benzyl-S-(1-methylpyrazol-3-yl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[S-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-methylsulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;8-[(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)carbamoylamino]-1,2,3,5,6,7-hexahydro-s-indacene-4-carboxylic acid;bis(1-[[(6S)-6-(2-fluoroethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea);1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfonimidoyl]urea
SMILESCN=S(=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1cnn2c1OCCC2.Cn1ccc(S(=O)(=NCc2ccccc2)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.[H]N=S(=O)(NC(=O)Nc1c2c(c(C(=O)O)c3c1CCC3)CCC2)c1cnn2c1OCCC2.[H]N=S(=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1ccn(C)n1.[H]N=S(=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1cnn2c1OC[C@@H](NCCF)C2.[H]N=S(=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1cnn2c1OC[C@@H](NCCF)C2
InChIInChI=1S/C24H27N5O2S.2C21H27FN6O3S.C20H23N5O5S.C20H25N5O3S.C17H21N5O2S/c1-29-14-13-22(27-29)32(31,25-16-17-7-3-2-4-8-17)28-24(30)26-23-20-11-5-9-18(20)15-19-10-6-12-21(19)23;2*22-7-8-24-15-11-28-20(31-12-15)18(10-25-28)32(23,30)27-21(29)26-19-16-5-1-3-13(16)9-14-4-2-6-17(14)19;21-31(29,15-10-22-25-8-3-9-30-18(15)25)24-20(28)23-17-13-6-1-4-11(13)16(19(26)27)12-5-2-7-14(12)17;1-21-29(27,17-12-22-25-9-4-10-28-19(17)25)24-20(26)23-18-15-7-2-5-13(15)11-14-6-3-8-16(14)18;1-22-9-8-15(20-22)25(18,24)21-17(23)19-16-13-6-2-4-11(13)10-12-5-3-7-14(12)16/h2-4,7-8,13-15H,5-6,9-12,16H2,1H3,(H2,25,26,28,30,31);2*9-10,15,24H,1-8,11-12H2,(H3,23,26,27,29,30);10H,1-9H2,(H,26,27)(H3,21,23,24,28,29);11-12H,2-10H2,1H3,(H2,21,23,24,26,27);8-10H,2-7H2,1H3,(H3,18,19,21,23,24)/t;2*15-,32?;;;/m.00.../s1
InChIKeyZLPMGLWTDKLDLZ-AKYJNIITSA-N
XLogP16.67
TPSA674.52 Ų
H-Bond Donors19
H-Bond Acceptors37
Rotatable Bonds27
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002595.16
LogP ≤ 516.67
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1037

Analyze 1-[N-benzyl-S-(1-methylpyrazol-3-yl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[S-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-methylsulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;8-[(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)carbamoylamino]-1,2,3,5,6,7-hexahydro-s-indacene-4-carboxylic acid;bis(1-[[(6S)-6-(2-fluoroethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea);1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfonimidoyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[N-benzyl-S-(1-methylpyrazol-3-yl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[S-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-methylsulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;8-[(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)carbamoylamino]-1,2,3,5,6,7-hexahydro-s-indacene-4-carboxylic acid;bis(1-[[(6S)-6-(2-fluoroethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea);1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfonimidoyl]urea?
The IUPAC name of 1-[N-benzyl-S-(1-methylpyrazol-3-yl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[S-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-methylsulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;8-[(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)carbamoylamino]-1,2,3,5,6,7-hexahydro-s-indacene-4-carboxylic acid;bis(1-[[(6S)-6-(2-fluoroethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea);1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfonimidoyl]urea (CID 162154218) is 1-[N-benzyl-S-(1-methylpyrazol-3-yl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[S-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-methylsulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;8-[(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)carbamoylamino]-1,2,3,5,6,7-hexahydro-s-indacene-4-carboxylic acid;bis(1-[[(6S)-6-(2-fluoroethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea);1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfonimidoyl]urea.
What is the SMILES notation for 1-[N-benzyl-S-(1-methylpyrazol-3-yl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[S-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-methylsulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;8-[(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)carbamoylamino]-1,2,3,5,6,7-hexahydro-s-indacene-4-carboxylic acid;bis(1-[[(6S)-6-(2-fluoroethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea);1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfonimidoyl]urea?
The canonical SMILES for 1-[N-benzyl-S-(1-methylpyrazol-3-yl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[S-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-methylsulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;8-[(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)carbamoylamino]-1,2,3,5,6,7-hexahydro-s-indacene-4-carboxylic acid;bis(1-[[(6S)-6-(2-fluoroethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea);1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfonimidoyl]urea is CN=S(=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1cnn2c1OCCC2.Cn1ccc(S(=O)(=NCc2ccccc2)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.[H]N=S(=O)(NC(=O)Nc1c2c(c(C(=O)O)c3c1CCC3)CCC2)c1cnn2c1OCCC2.[H]N=S(=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1ccn(C)n1.[H]N=S(=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1cnn2c1OC[C@@H](NCCF)C2.[H]N=S(=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1cnn2c1OC[C@@H](NCCF)C2.
What is the InChIKey of 1-[N-benzyl-S-(1-methylpyrazol-3-yl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[S-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-methylsulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;8-[(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)carbamoylamino]-1,2,3,5,6,7-hexahydro-s-indacene-4-carboxylic acid;bis(1-[[(6S)-6-(2-fluoroethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea);1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfonimidoyl]urea?
The InChIKey is ZLPMGLWTDKLDLZ-AKYJNIITSA-N. The full InChI is InChI=1S/C24H27N5O2S.2C21H27FN6O3S.C20H23N5O5S.C20H25N5O3S.C17H21N5O2S/c1-29-14-13-22(27-29)32(31,25-16-17-7-3-2-4-8-17)28-24(30)26-23-20-11-5-9-18(20)15-19-10-6-12-21(19)23;2*22-7-8-24-15-11-28-20(31-12-15)18(10-25-28)32(23,30)27-21(29)26-19-16-5-1-3-13(16)9-14-4-2-6-17(14)19;21-31(29,15-10-22-25-8-3-9-30-18(15)25)24-20(28)23-17-13-6-1-4-11(13)16(19(26)27)12-5-2-7-14(12)17;1-21-29(27,17-12-22-25-9-4-10-28-19(17)25)24-20(26)23-18-15-7-2-5-13(15)11-14-6-3-8-16(14)18;1-22-9-8-15(20-22)25(18,24)21-17(23)19-16-13-6-2-4-11(13)10-12-5-3-7-14(12)16/h2-4,7-8,13-15H,5-6,9-12,16H2,1H3,(H2,25,26,28,30,31);2*9-10,15,24H,1-8,11-12H2,(H3,23,26,27,29,30);10H,1-9H2,(H,26,27)(H3,21,23,24,28,29);11-12H,2-10H2,1H3,(H2,21,23,24,26,27);8-10H,2-7H2,1H3,(H3,18,19,21,23,24)/t;2*15-,32?;;;/m.00.../s1.
What are the key properties of 1-[N-benzyl-S-(1-methylpyrazol-3-yl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[S-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-methylsulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;8-[(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)carbamoylamino]-1,2,3,5,6,7-hexahydro-s-indacene-4-carboxylic acid;bis(1-[[(6S)-6-(2-fluoroethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea);1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfonimidoyl]urea?
1-[N-benzyl-S-(1-methylpyrazol-3-yl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[S-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-methylsulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;8-[(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)carbamoylamino]-1,2,3,5,6,7-hexahydro-s-indacene-4-carboxylic acid;bis(1-[[(6S)-6-(2-fluoroethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea);1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfonimidoyl]urea has a molecular weight of 2595.16 g/mol, XLogP of 16.67, 27 rotatable bonds, 19 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-benzyl-S-(1-methylpyrazol-3-yl)sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[S-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-methylsulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;8-[(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonimidoyl)carbamoylamino]-1,2,3,5,6,7-hexahydro-s-indacene-4-carboxylic acid;bis(1-[[(6S)-6-(2-fluoroethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea);1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-3-yl)sulfonimidoyl]urea is sourced from PubChem (CID 162154218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).