 Home > Encyclopedia > (2R,3R,5R,7R)-5,6-dimethyl-3-prop-1-en-2-yl-4-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene

(2R,3R,5R,7R)-5,6-dimethyl-3-prop-1-en-2-yl-4-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene

(2R,3R,5R,7R)-5,6-dimethyl-3-prop-1-en-2-yl-4-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene structure

CAS No:
52052-65-0
Formula:
C18H22N2O
Chemical Name:
(2R,3R,5R,7R)-5,6-dimethyl-3-prop-1-en-2-yl-4-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
Synonyms:
Paspaclavine;52052-65-0;DTXSID10966421;8-Oxaergoline, 6,7-dimethyl-9-(1-methylethenyl)-, (7alpha,9alpha)-;7,8-Dimethyl-10-(prop-1-en-2-yl)-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg][3,1]benzoxazine

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(2R,3R,5R,7R)-5,6-dimethyl-3-prop-1-en-2-yl-4-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene Basic Attributes

Molecular Weight：

282.4 g/mol

Exact Mass：

282.173213330 g/mol

Characteristics

PSA：

28.3 Å²

Computed Properties

Molecular Weight:282.4
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:282.173213330
Monoisotopic Mass:282.173213330
Topological Polar Surface Area:28.3
Heavy Atom Count:21
Complexity:437
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2R,3R,5R,7R)-5,6-dimethyl-3-prop-1-en-2-yl-4-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene

Basic Attributes
Characteristics
Computed Properties

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