benzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-[(Z)-1-dimethylsilyloxy-4,4-dimethylpent-2-en-3-yl]-4-oxoazetidin-3-yl]ethyl carbonate

C37H47NO7Si — CID 173345580

IUPACbenzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-[(Z)-1-dimethylsilyloxy-4,4-dimethylpent-2-en-3-yl]-4-oxoazetidin-3-yl]ethyl carbonate
SMILESCOc1ccc(C(c2ccc(OC)cc2)N2C(=O)[C@H](C(C)OC(=O)OCc3ccccc3)[C@H]2/C(=C\CO[SiH](C)C)C(C)(C)C)cc1
InChIInChI=1S/C37H47NO7Si/c1-25(45-36(40)43-24-26-12-10-9-11-13-26)32-34(31(37(2,3)4)22-23-44-46(7)8)38(35(32)39)33(27-14-18-29(41-5)19-15-27)28-16-20-30(42-6)21-17-28/h9-22,25,32-34,46H,23-24H2,1-8H3/b31-22+/t25?,32-,34-/m1/s1
InChIKeyRXCZHFHIIYERCV-PUHZYVQCSA-N
MW645.87 g/mol
LogP7.33
Rot. Bonds13

About benzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-[(Z)-1-dimethylsilyloxy-4,4-dimethylpent-2-en-3-yl]-4-oxoazetidin-3-yl]ethyl carbonate

benzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-[(Z)-1-dimethylsilyloxy-4,4-dimethylpent-2-en-3-yl]-4-oxoazetidin-3-yl]ethyl carbonate (PubChem CID 173345580) has the molecular formula C37H47NO7Si and a molecular weight of 645.87 g/mol. Its IUPAC name is benzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-[(Z)-1-dimethylsilyloxy-4,4-dimethylpent-2-en-3-yl]-4-oxoazetidin-3-yl]ethyl carbonate.

Molecular Properties

Compound Namebenzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-[(Z)-1-dimethylsilyloxy-4,4-dimethylpent-2-en-3-yl]-4-oxoazetidin-3-yl]ethyl carbonate
PubChem CID173345580
Molecular FormulaC37H47NO7Si
Molecular Weight645.87 g/mol
Exact Mass645.31
IUPAC Namebenzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-[(Z)-1-dimethylsilyloxy-4,4-dimethylpent-2-en-3-yl]-4-oxoazetidin-3-yl]ethyl carbonate
SMILESCOc1ccc(C(c2ccc(OC)cc2)N2C(=O)[C@H](C(C)OC(=O)OCc3ccccc3)[C@H]2/C(=C\CO[SiH](C)C)C(C)(C)C)cc1
InChIInChI=1S/C37H47NO7Si/c1-25(45-36(40)43-24-26-12-10-9-11-13-26)32-34(31(37(2,3)4)22-23-44-46(7)8)38(35(32)39)33(27-14-18-29(41-5)19-15-27)28-16-20-30(42-6)21-17-28/h9-22,25,32-34,46H,23-24H2,1-8H3/b31-22+/t25?,32-,34-/m1/s1
InChIKeyRXCZHFHIIYERCV-PUHZYVQCSA-N
XLogP7.33
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.87
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze benzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-[(Z)-1-dimethylsilyloxy-4,4-dimethylpent-2-en-3-yl]-4-oxoazetidin-3-yl]ethyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-(1-chloropropan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate
CID 70356313
benzyl [(1R)-1-[(3S,4S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-oxo-4-(2,2,5-trimethyl-5-silyloxyhex-3-en-3-yl)azetidin-3-yl]ethyl] carbonate
CID 154317029
benzyl [(1R)-1-[(2R,3S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-[(2R)-3-dimethylsilyloxy-4,4-dimethylpentan-2-yl]-4-oxoazetidin-3-yl]ethyl] carbonate
CID 173413439
[(1R)-1-[(2S,3S)-2-(1-benzhydrylsilyloxyprop-1-enyl)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-4-oxoazetidin-3-yl]ethyl] benzyl carbonate
CID 154478941
benzyl [(1R)-1-[(2S,3S)-1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-oxoazetidin-3-yl]ethyl] carbonate
CID 67796524
tert-butyl (2S,3S)-1-[(4-methoxyphenyl)methyl]-4-oxo-3-[(1R)-1-prop-2-enoxycarbonyloxyethyl]azetidine-2-carboxylate
CID 18604780
benzyl 1-[2-(1-hydroxy-2-methyl-3-phenylbutan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate
CID 74001429
tert-butyl 2-[(2S,3S)-2-[(2R)-1-hydroxypropan-2-yl]-4-oxo-3-[(1R)-1-phenylmethoxycarbonyloxyethyl]azetidin-1-yl]acetate
CID 139757968
(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
1-[bis(4-methoxyphenyl)methyl]-3-ethenyl-4-oxoazetidine-2-carboxylic acid
CID 13232006
1-[1-[1,3-bis(4-methoxyphenyl)propan-2-yl]-2-[1-[(4-methoxyphenyl)methoxy]-2-oxoethyl]-4-oxoazetidin-3-yl]ethyl (4-nitrophenyl)methyl carbonate
CID 88721958
benzyl [(1R)-1-[(2S,3S)-2-(1-hydroxypropan-2-yl)-4-oxoazetidin-3-yl]ethyl] carbonate
CID 70460094

Frequently Asked Questions

What is the IUPAC name of benzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-[(Z)-1-dimethylsilyloxy-4,4-dimethylpent-2-en-3-yl]-4-oxoazetidin-3-yl]ethyl carbonate?
The IUPAC name of benzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-[(Z)-1-dimethylsilyloxy-4,4-dimethylpent-2-en-3-yl]-4-oxoazetidin-3-yl]ethyl carbonate (CID 173345580) is benzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-[(Z)-1-dimethylsilyloxy-4,4-dimethylpent-2-en-3-yl]-4-oxoazetidin-3-yl]ethyl carbonate.
What is the SMILES notation for benzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-[(Z)-1-dimethylsilyloxy-4,4-dimethylpent-2-en-3-yl]-4-oxoazetidin-3-yl]ethyl carbonate?
The canonical SMILES for benzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-[(Z)-1-dimethylsilyloxy-4,4-dimethylpent-2-en-3-yl]-4-oxoazetidin-3-yl]ethyl carbonate is COc1ccc(C(c2ccc(OC)cc2)N2C(=O)[C@H](C(C)OC(=O)OCc3ccccc3)[C@H]2/C(=C\CO[SiH](C)C)C(C)(C)C)cc1.
What is the InChIKey of benzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-[(Z)-1-dimethylsilyloxy-4,4-dimethylpent-2-en-3-yl]-4-oxoazetidin-3-yl]ethyl carbonate?
The InChIKey is RXCZHFHIIYERCV-PUHZYVQCSA-N. The full InChI is InChI=1S/C37H47NO7Si/c1-25(45-36(40)43-24-26-12-10-9-11-13-26)32-34(31(37(2,3)4)22-23-44-46(7)8)38(35(32)39)33(27-14-18-29(41-5)19-15-27)28-16-20-30(42-6)21-17-28/h9-22,25,32-34,46H,23-24H2,1-8H3/b31-22+/t25?,32-,34-/m1/s1.
What are the key properties of benzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-[(Z)-1-dimethylsilyloxy-4,4-dimethylpent-2-en-3-yl]-4-oxoazetidin-3-yl]ethyl carbonate?
benzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-[(Z)-1-dimethylsilyloxy-4,4-dimethylpent-2-en-3-yl]-4-oxoazetidin-3-yl]ethyl carbonate has a molecular weight of 645.87 g/mol, XLogP of 7.33, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[(2S,3S)-1-[bis(4-methoxyphenyl)methyl]-2-[(Z)-1-dimethylsilyloxy-4,4-dimethylpent-2-en-3-yl]-4-oxoazetidin-3-yl]ethyl carbonate is sourced from PubChem (CID 173345580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).