[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
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![[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b207933c2d0d4b979c213fe4bf5d3dac.png "[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate")
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
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CAS No:
477764-85-5
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Formula:
C22H23ClN2O6
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Chemical Name:
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
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Synonyms:
MLS002248993;CHEMBL1871576;ZINC3286105;AKOS034826348;MCULE-9702590265;SMR001316448;Z56895468;{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl (2S)-2-[(2-chlorophenyl)formamido]-3-methylbutanoate;477764-85-5
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CAS No:
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate Basic Attributes
446.9 g/mol
446.1244642 g/mol
Computed Properties
Molecular Weight:446.9
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:446.1244642
Monoisotopic Mass:446.1244642
Topological Polar Surface Area:103
Heavy Atom Count:31
Complexity:646
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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