1-[4-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidine-1-carbonyl]-2-pyridinyl]ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(diethylamino)-4-pyridinyl]methanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(3-methylphenyl)-4-pyridinyl]methanone);[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(4-methylphenyl)-4-pyridinyl]methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone

C152H170N26O25S6 — CID 158068412

IUPAC1-[4-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidine-1-carbonyl]-2-pyridinyl]ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(diethylamino)-4-pyridinyl]methanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(3-methylphenyl)-4-pyridinyl]methanone);[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(4-methylphenyl)-4-pyridinyl]methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone
SMILESCC(=O)c1cc(C(=O)N2CCC[C@H](COc3cccc4c3C(N)=NS(=O)(=O)C4)C2)ccn1.CCN(CC)c1cc(C(=O)N2CCC[C@H](COc3cccc4c3C(N)=NS(=O)(=O)C4)C2)ccn1.Cc1ccc(-c2cc(C(=O)N3CCC[C@H](COc4cccc5c4C(N)=NS(=O)(=O)C5)C3)ccn2)cc1.Cc1cccc(-c2cc(C(=O)N3CCC[C@H](COc4cccc5c4C(N)=NS(=O)(=O)C5)C3)ccn2)c1.Cc1cccc(-c2cc(C(=O)N3CCC[C@H](COc4cccc5c4C(N)=NS(=O)(=O)C5)C3)ccn2)c1.NC1=NS(=O)(=O)Cc2cccc(OC[C@H]3CCCN(C(=O)c4ccnc(N5CCCCC5)c4)C3)c21
InChIInChI=1S/3C27H28N4O4S.C25H31N5O4S.C24H31N5O4S.C22H24N4O5S/c2*1-18-5-2-7-20(13-18)23-14-21(10-11-29-23)27(32)31-12-4-6-19(15-31)16-35-24-9-3-8-22-17-36(33,34)30-26(28)25(22)24;1-18-7-9-20(10-8-18)23-14-21(11-12-29-23)27(32)31-13-3-4-19(15-31)16-35-24-6-2-5-22-17-36(33,34)30-26(28)25(22)24;26-24-23-20(17-35(32,33)28-24)7-4-8-21(23)34-16-18-6-5-13-30(15-18)25(31)19-9-10-27-22(14-19)29-11-2-1-3-12-29;1-3-28(4-2)21-13-18(10-11-26-21)24(30)29-12-6-7-17(14-29)15-33-20-9-5-8-19-16-34(31,32)27-23(25)22(19)20;1-14(27)18-10-16(7-8-24-18)22(28)26-9-3-4-15(11-26)12-31-19-6-2-5-17-13-32(29,30)25-21(23)20(17)19/h2*2-3,5,7-11,13-14,19H,4,6,12,15-17H2,1H3,(H2,28,30);2,5-12,14,19H,3-4,13,15-17H2,1H3,(H2,28,30);4,7-10,14,18H,1-3,5-6,11-13,15-17H2,(H2,26,28);5,8-11,13,17H,3-4,6-7,12,14-16H2,1-2H3,(H2,25,27);2,5-8,10,15H,3-4,9,11-13H2,1H3,(H2,23,25)/t3*19-;18-;17-;15-/m000000/s1
InChIKeyFLNCFKFUCKJVKM-VSFPVDETSA-N
MW2953.59 g/mol
LogP17.33
Rot. Bonds32

About 1-[4-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidine-1-carbonyl]-2-pyridinyl]ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(diethylamino)-4-pyridinyl]methanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(3-methylphenyl)-4-pyridinyl]methanone);[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(4-methylphenyl)-4-pyridinyl]methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone

1-[4-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidine-1-carbonyl]-2-pyridinyl]ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(diethylamino)-4-pyridinyl]methanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(3-methylphenyl)-4-pyridinyl]methanone);[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(4-methylphenyl)-4-pyridinyl]methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone (PubChem CID 158068412) has the molecular formula C152H170N26O25S6 and a molecular weight of 2953.59 g/mol. Its IUPAC name is 1-[4-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidine-1-carbonyl]-2-pyridinyl]ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(diethylamino)-4-pyridinyl]methanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(3-methylphenyl)-4-pyridinyl]methanone);[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(4-methylphenyl)-4-pyridinyl]methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name1-[4-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidine-1-carbonyl]-2-pyridinyl]ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(diethylamino)-4-pyridinyl]methanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(3-methylphenyl)-4-pyridinyl]methanone);[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(4-methylphenyl)-4-pyridinyl]methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone
PubChem CID158068412
Molecular FormulaC152H170N26O25S6
Molecular Weight2953.59 g/mol
Exact Mass2951.12
IUPAC Name1-[4-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidine-1-carbonyl]-2-pyridinyl]ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(diethylamino)-4-pyridinyl]methanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(3-methylphenyl)-4-pyridinyl]methanone);[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(4-methylphenyl)-4-pyridinyl]methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone
SMILESCC(=O)c1cc(C(=O)N2CCC[C@H](COc3cccc4c3C(N)=NS(=O)(=O)C4)C2)ccn1.CCN(CC)c1cc(C(=O)N2CCC[C@H](COc3cccc4c3C(N)=NS(=O)(=O)C4)C2)ccn1.Cc1ccc(-c2cc(C(=O)N3CCC[C@H](COc4cccc5c4C(N)=NS(=O)(=O)C5)C3)ccn2)cc1.Cc1cccc(-c2cc(C(=O)N3CCC[C@H](COc4cccc5c4C(N)=NS(=O)(=O)C5)C3)ccn2)c1.Cc1cccc(-c2cc(C(=O)N3CCC[C@H](COc4cccc5c4C(N)=NS(=O)(=O)C5)C3)ccn2)c1.NC1=NS(=O)(=O)Cc2cccc(OC[C@H]3CCCN(C(=O)c4ccnc(N5CCCCC5)c4)C3)c21
InChIInChI=1S/3C27H28N4O4S.C25H31N5O4S.C24H31N5O4S.C22H24N4O5S/c2*1-18-5-2-7-20(13-18)23-14-21(10-11-29-23)27(32)31-12-4-6-19(15-31)16-35-24-9-3-8-22-17-36(33,34)30-26(28)25(22)24;1-18-7-9-20(10-8-18)23-14-21(11-12-29-23)27(32)31-13-3-4-19(15-31)16-35-24-6-2-5-22-17-36(33,34)30-26(28)25(22)24;26-24-23-20(17-35(32,33)28-24)7-4-8-21(23)34-16-18-6-5-13-30(15-18)25(31)19-9-10-27-22(14-19)29-11-2-1-3-12-29;1-3-28(4-2)21-13-18(10-11-26-21)24(30)29-12-6-7-17(14-29)15-33-20-9-5-8-19-16-34(31,32)27-23(25)22(19)20;1-14(27)18-10-16(7-8-24-18)22(28)26-9-3-4-15(11-26)12-31-19-6-2-5-17-13-32(29,30)25-21(23)20(17)19/h2*2-3,5,7-11,13-14,19H,4,6,12,15-17H2,1H3,(H2,28,30);2,5-12,14,19H,3-4,13,15-17H2,1H3,(H2,28,30);4,7-10,14,18H,1-3,5-6,11-13,15-17H2,(H2,26,28);5,8-11,13,17H,3-4,6-7,12,14-16H2,1-2H3,(H2,25,27);2,5-8,10,15H,3-4,9,11-13H2,1H3,(H2,23,25)/t3*19-;18-;17-;15-/m000000/s1
InChIKeyFLNCFKFUCKJVKM-VSFPVDETSA-N
XLogP17.33
TPSA713.25 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds32
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002953.59
LogP ≤ 517.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Analyze 1-[4-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidine-1-carbonyl]-2-pyridinyl]ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(diethylamino)-4-pyridinyl]methanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(3-methylphenyl)-4-pyridinyl]methanone);[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(4-methylphenyl)-4-pyridinyl]methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidine-1-carbonyl]-2-pyridinyl]ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(diethylamino)-4-pyridinyl]methanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(3-methylphenyl)-4-pyridinyl]methanone);[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(4-methylphenyl)-4-pyridinyl]methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone?
The IUPAC name of 1-[4-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidine-1-carbonyl]-2-pyridinyl]ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(diethylamino)-4-pyridinyl]methanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(3-methylphenyl)-4-pyridinyl]methanone);[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(4-methylphenyl)-4-pyridinyl]methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone (CID 158068412) is 1-[4-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidine-1-carbonyl]-2-pyridinyl]ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(diethylamino)-4-pyridinyl]methanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(3-methylphenyl)-4-pyridinyl]methanone);[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(4-methylphenyl)-4-pyridinyl]methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone.
What is the SMILES notation for 1-[4-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidine-1-carbonyl]-2-pyridinyl]ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(diethylamino)-4-pyridinyl]methanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(3-methylphenyl)-4-pyridinyl]methanone);[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(4-methylphenyl)-4-pyridinyl]methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone?
The canonical SMILES for 1-[4-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidine-1-carbonyl]-2-pyridinyl]ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(diethylamino)-4-pyridinyl]methanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(3-methylphenyl)-4-pyridinyl]methanone);[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(4-methylphenyl)-4-pyridinyl]methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone is CC(=O)c1cc(C(=O)N2CCC[C@H](COc3cccc4c3C(N)=NS(=O)(=O)C4)C2)ccn1.CCN(CC)c1cc(C(=O)N2CCC[C@H](COc3cccc4c3C(N)=NS(=O)(=O)C4)C2)ccn1.Cc1ccc(-c2cc(C(=O)N3CCC[C@H](COc4cccc5c4C(N)=NS(=O)(=O)C5)C3)ccn2)cc1.Cc1cccc(-c2cc(C(=O)N3CCC[C@H](COc4cccc5c4C(N)=NS(=O)(=O)C5)C3)ccn2)c1.Cc1cccc(-c2cc(C(=O)N3CCC[C@H](COc4cccc5c4C(N)=NS(=O)(=O)C5)C3)ccn2)c1.NC1=NS(=O)(=O)Cc2cccc(OC[C@H]3CCCN(C(=O)c4ccnc(N5CCCCC5)c4)C3)c21.
What is the InChIKey of 1-[4-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidine-1-carbonyl]-2-pyridinyl]ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(diethylamino)-4-pyridinyl]methanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(3-methylphenyl)-4-pyridinyl]methanone);[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(4-methylphenyl)-4-pyridinyl]methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone?
The InChIKey is FLNCFKFUCKJVKM-VSFPVDETSA-N. The full InChI is InChI=1S/3C27H28N4O4S.C25H31N5O4S.C24H31N5O4S.C22H24N4O5S/c2*1-18-5-2-7-20(13-18)23-14-21(10-11-29-23)27(32)31-12-4-6-19(15-31)16-35-24-9-3-8-22-17-36(33,34)30-26(28)25(22)24;1-18-7-9-20(10-8-18)23-14-21(11-12-29-23)27(32)31-13-3-4-19(15-31)16-35-24-6-2-5-22-17-36(33,34)30-26(28)25(22)24;26-24-23-20(17-35(32,33)28-24)7-4-8-21(23)34-16-18-6-5-13-30(15-18)25(31)19-9-10-27-22(14-19)29-11-2-1-3-12-29;1-3-28(4-2)21-13-18(10-11-26-21)24(30)29-12-6-7-17(14-29)15-33-20-9-5-8-19-16-34(31,32)27-23(25)22(19)20;1-14(27)18-10-16(7-8-24-18)22(28)26-9-3-4-15(11-26)12-31-19-6-2-5-17-13-32(29,30)25-21(23)20(17)19/h2*2-3,5,7-11,13-14,19H,4,6,12,15-17H2,1H3,(H2,28,30);2,5-12,14,19H,3-4,13,15-17H2,1H3,(H2,28,30);4,7-10,14,18H,1-3,5-6,11-13,15-17H2,(H2,26,28);5,8-11,13,17H,3-4,6-7,12,14-16H2,1-2H3,(H2,25,27);2,5-8,10,15H,3-4,9,11-13H2,1H3,(H2,23,25)/t3*19-;18-;17-;15-/m000000/s1.
What are the key properties of 1-[4-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidine-1-carbonyl]-2-pyridinyl]ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(diethylamino)-4-pyridinyl]methanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(3-methylphenyl)-4-pyridinyl]methanone);[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(4-methylphenyl)-4-pyridinyl]methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone?
1-[4-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidine-1-carbonyl]-2-pyridinyl]ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(diethylamino)-4-pyridinyl]methanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(3-methylphenyl)-4-pyridinyl]methanone);[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(4-methylphenyl)-4-pyridinyl]methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone has a molecular weight of 2953.59 g/mol, XLogP of 17.33, 32 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidine-1-carbonyl]-2-pyridinyl]ethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(diethylamino)-4-pyridinyl]methanone;bis([(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(3-methylphenyl)-4-pyridinyl]methanone);[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-[2-(4-methylphenyl)-4-pyridinyl]methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone is sourced from PubChem (CID 158068412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).