[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzoate
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![[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/afacd7aa65af4f32a3f09e342390edfa.png "[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzoate")
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzoate
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CAS No:
745027-97-8
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Formula:
C17H17N5O5S
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Chemical Name:
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzoate
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Synonyms:
MLS001003224;CHEMBL1302162;HMS2712G13;ZINC12733148;AKOS033847259;MCULE-5997863902;SMR000344730;AB00604155-02;Z22825353;[bis(prop-2-en-1-yl)carbamoyl]methyl 3-nitro-4-(4H-1,2,4-triazol-3-ylsulfanyl)benzoate;745027-97-8
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CAS No:
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzoate Basic Attributes
403.4 g/mol
403.09503983 g/mol
Computed Properties
Molecular Weight:403.4
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:403.09503983
Monoisotopic Mass:403.09503983
Topological Polar Surface Area:159
Heavy Atom Count:28
Complexity:589
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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