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[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate

[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate structure

CAS No:
736934-83-1
Formula:
C17H16N4O5S2
Chemical Name:
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate
Synonyms:
ZINC3297285;AKOS033936608;MCULE-3002913249;Z25234912;[(2-cyanoethyl)(methyl)carbamoyl]methyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate;736934-83-1

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[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Basic Attributes

Molecular Weight：

420.5 g/mol

Exact Mass：

420.05621197 g/mol

Characteristics

PSA：

183 Å²

Computed Properties

Molecular Weight:420.5
XLogP3:2.7
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:420.05621197
Monoisotopic Mass:420.05621197
Topological Polar Surface Area:183
Heavy Atom Count:28
Complexity:635
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate

Basic Attributes
Characteristics
Computed Properties
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