benzyl 2-[(5S)-6-oxo-5,7-dihydropyrrolo[1,2-d][1,4]benzodiazepin-5-yl]acetate
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![benzyl 2-[(5S)-6-oxo-5,7-dihydropyrrolo[1,2-d][1,4]benzodiazepin-5-yl]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fcb42df53df04b58a1bc21e73b3039a8.png "benzyl 2-[(5S)-6-oxo-5,7-dihydropyrrolo[1,2-d][1,4]benzodiazepin-5-yl]acetate")
benzyl 2-[(5S)-6-oxo-5,7-dihydropyrrolo[1,2-d][1,4]benzodiazepin-5-yl]acetate
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CAS No:
147528-08-3
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Formula:
C21H18N2O3
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Chemical Name:
benzyl 2-[(5S)-6-oxo-5,7-dihydropyrrolo[1,2-d][1,4]benzodiazepin-5-yl]acetate
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Synonyms:
Dupont XA259;XA 259;CHEMBL298457;147528-08-3;5H-Pyrrolo(1,2-d)(1,4)benzodiazepine-5-acetic acid, 6,7-dihydro-6-oxo-, phenylmethyl ester, (S)-;6-Oxopyrrolo(1,2-d)(1,4)-benzodiazepin-5-acetic acid, benzyl ester;6-Oxopyrrolo[1,2-d][1,4]-benzodiazepin-5-acetic acid, benzyl ester;5H-Pyrrolo[1,2-d][1,4]benzodiazepine-5-acetic acid, 6,7-dihydro-6-oxo-, phenylmethyl ester, (S)-;TIBO pyrrolo AcOBz analog;DTXSID70163737;BDBM50212466;benzyl 2-[(5S)-6-oxo-5,7-dihydropyrrolo[1,2-d][1,4]benzodiazepin-5-yl]acetate
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CAS No:
benzyl 2-[(5S)-6-oxo-5,7-dihydropyrrolo[1,2-d][1,4]benzodiazepin-5-yl]acetate Basic Attributes
346.4 g/mol
346.13174244 g/mol
DTXSID70163737
Computed Properties
Molecular Weight:346.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:346.13174244
Monoisotopic Mass:346.13174244
Topological Polar Surface Area:60.3
Heavy Atom Count:26
Complexity:517
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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