[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/230eb49e9ffa4e8b9928d313a6530054.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate
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CAS No:
569326-32-5
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Formula:
C23H20N4O7S
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate
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Synonyms:
ZINC2628985;AKOS033779609;MCULE-8132738208;UPCMLD0ENAT5275398:001;Z21648046;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 3-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate;569326-32-5
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Basic Attributes
496.5 g/mol
496.10527016 g/mol
Computed Properties
Molecular Weight:496.5
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:496.10527016
Monoisotopic Mass:496.10527016
Topological Polar Surface Area:191
Heavy Atom Count:35
Complexity:944
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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