(2S)-2-amino-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]propan-1-one;1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone;tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate;1-[4-(13,14-difluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;methane

C120H129Cl2F2N11O8S2 — CID 158237485

IUPAC(2S)-2-amino-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]propan-1-one;1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone;tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate;1-[4-(13,14-difluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;methane
SMILESC.C.COc1ccc(CSC[C@@H](N)C(=O)N2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1.COc1ccc(CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1.O=C(Cc1ccccc1)N1CCC(=C2c3ccccc3CCc3cccnc32)CC1.O=C(Cc1ccncc1)N1CCC(=C2c3cc(F)c(F)cc3CCc3cccnc32)CC1
InChIInChI=1S/C35H40ClN3O4S.C30H32ClN3O2S.C27H26N2O.C26H23F2N3O.2CH4/c1-35(2,3)43-34(41)38-30(22-44-21-23-7-12-28(42-4)13-8-23)33(40)39-18-15-24(16-19-39)31-29-14-11-27(36)20-26(29)10-9-25-6-5-17-37-32(25)31;1-36-25-9-4-20(5-10-25)18-37-19-27(32)30(35)34-15-12-21(13-16-34)28-26-11-8-24(31)17-23(26)7-6-22-3-2-14-33-29(22)28;30-25(19-20-7-2-1-3-8-20)29-17-14-22(15-18-29)26-24-11-5-4-9-21(24)12-13-23-10-6-16-28-27(23)26;27-22-15-20-4-3-19-2-1-9-30-26(19)25(21(20)16-23(22)28)18-7-12-31(13-8-18)24(32)14-17-5-10-29-11-6-17;;/h5-8,11-14,17,20,30H,9-10,15-16,18-19,21-22H2,1-4H3,(H,38,41);2-5,8-11,14,17,27H,6-7,12-13,15-16,18-19,32H2,1H3;1-11,16H,12-15,17-19H2;1-2,5-6,9-11,15-16H,3-4,7-8,12-14H2;2*1H4/t30-;27-;;;;/m11..../s1
InChIKeyGFDIXFFZLZVYPG-IPBQEWLUSA-N
MW2026.46 g/mol
LogP23.26
Rot. Bonds17

About (2S)-2-amino-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]propan-1-one;1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone;tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate;1-[4-(13,14-difluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;methane

(2S)-2-amino-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]propan-1-one;1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone;tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate;1-[4-(13,14-difluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;methane (PubChem CID 158237485) has the molecular formula C120H129Cl2F2N11O8S2 and a molecular weight of 2026.46 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]propan-1-one;1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone;tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate;1-[4-(13,14-difluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;methane.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]propan-1-one;1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone;tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate;1-[4-(13,14-difluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;methane
PubChem CID158237485
Molecular FormulaC120H129Cl2F2N11O8S2
Molecular Weight2026.46 g/mol
Exact Mass2023.88
IUPAC Name(2S)-2-amino-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]propan-1-one;1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone;tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate;1-[4-(13,14-difluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;methane
SMILESC.C.COc1ccc(CSC[C@@H](N)C(=O)N2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1.COc1ccc(CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1.O=C(Cc1ccccc1)N1CCC(=C2c3ccccc3CCc3cccnc32)CC1.O=C(Cc1ccncc1)N1CCC(=C2c3cc(F)c(F)cc3CCc3cccnc32)CC1
InChIInChI=1S/C35H40ClN3O4S.C30H32ClN3O2S.C27H26N2O.C26H23F2N3O.2CH4/c1-35(2,3)43-34(41)38-30(22-44-21-23-7-12-28(42-4)13-8-23)33(40)39-18-15-24(16-19-39)31-29-14-11-27(36)20-26(29)10-9-25-6-5-17-37-32(25)31;1-36-25-9-4-20(5-10-25)18-37-19-27(32)30(35)34-15-12-21(13-16-34)28-26-11-8-24(31)17-23(26)7-6-22-3-2-14-33-29(22)28;30-25(19-20-7-2-1-3-8-20)29-17-14-22(15-18-29)26-24-11-5-4-9-21(24)12-13-23-10-6-16-28-27(23)26;27-22-15-20-4-3-19-2-1-9-30-26(19)25(21(20)16-23(22)28)18-7-12-31(13-8-18)24(32)14-17-5-10-29-11-6-17;;/h5-8,11-14,17,20,30H,9-10,15-16,18-19,21-22H2,1-4H3,(H,38,41);2-5,8-11,14,17,27H,6-7,12-13,15-16,18-19,32H2,1H3;1-11,16H,12-15,17-19H2;1-2,5-6,9-11,15-16H,3-4,7-8,12-14H2;2*1H4/t30-;27-;;;;/m11..../s1
InChIKeyGFDIXFFZLZVYPG-IPBQEWLUSA-N
XLogP23.26
TPSA228.50 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002026.46
LogP ≤ 523.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze (2S)-2-amino-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]propan-1-one;1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone;tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate;1-[4-(13,14-difluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;methane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate
CID 44331590
tert-butyl N-[1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate
CID 18715371
tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate;1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-(2-phenylmethoxyphenyl)ethanone
CID 90872959
(2S)-2-amino-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]propan-1-one;tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate
CID 91030003
(2S)-2-amino-3-[(4-methoxyphenyl)methylsulfanyl]-1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]propan-1-one;1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone;1-[4-(14-fluoro-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;1-[4-(13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;1-[4-(13-methyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone
CID 158526730

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]propan-1-one;1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone;tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate;1-[4-(13,14-difluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;methane?
The IUPAC name of (2S)-2-amino-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]propan-1-one;1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone;tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate;1-[4-(13,14-difluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;methane (CID 158237485) is (2S)-2-amino-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]propan-1-one;1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone;tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate;1-[4-(13,14-difluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;methane.
What is the SMILES notation for (2S)-2-amino-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]propan-1-one;1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone;tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate;1-[4-(13,14-difluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;methane?
The canonical SMILES for (2S)-2-amino-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]propan-1-one;1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone;tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate;1-[4-(13,14-difluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;methane is C.C.COc1ccc(CSC[C@@H](N)C(=O)N2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1.COc1ccc(CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1.O=C(Cc1ccccc1)N1CCC(=C2c3ccccc3CCc3cccnc32)CC1.O=C(Cc1ccncc1)N1CCC(=C2c3cc(F)c(F)cc3CCc3cccnc32)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]propan-1-one;1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone;tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate;1-[4-(13,14-difluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;methane?
The InChIKey is GFDIXFFZLZVYPG-IPBQEWLUSA-N. The full InChI is InChI=1S/C35H40ClN3O4S.C30H32ClN3O2S.C27H26N2O.C26H23F2N3O.2CH4/c1-35(2,3)43-34(41)38-30(22-44-21-23-7-12-28(42-4)13-8-23)33(40)39-18-15-24(16-19-39)31-29-14-11-27(36)20-26(29)10-9-25-6-5-17-37-32(25)31;1-36-25-9-4-20(5-10-25)18-37-19-27(32)30(35)34-15-12-21(13-16-34)28-26-11-8-24(31)17-23(26)7-6-22-3-2-14-33-29(22)28;30-25(19-20-7-2-1-3-8-20)29-17-14-22(15-18-29)26-24-11-5-4-9-21(24)12-13-23-10-6-16-28-27(23)26;27-22-15-20-4-3-19-2-1-9-30-26(19)25(21(20)16-23(22)28)18-7-12-31(13-8-18)24(32)14-17-5-10-29-11-6-17;;/h5-8,11-14,17,20,30H,9-10,15-16,18-19,21-22H2,1-4H3,(H,38,41);2-5,8-11,14,17,27H,6-7,12-13,15-16,18-19,32H2,1H3;1-11,16H,12-15,17-19H2;1-2,5-6,9-11,15-16H,3-4,7-8,12-14H2;2*1H4/t30-;27-;;;;/m11..../s1.
What are the key properties of (2S)-2-amino-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]propan-1-one;1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone;tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate;1-[4-(13,14-difluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;methane?
(2S)-2-amino-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]propan-1-one;1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone;tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate;1-[4-(13,14-difluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;methane has a molecular weight of 2026.46 g/mol, XLogP of 23.26, 17 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]propan-1-one;1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-phenylethanone;tert-butyl N-[(2S)-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate;1-[4-(13,14-difluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone;methane is sourced from PubChem (CID 158237485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).