 Home > Encyclopedia > 4-(diaminomethylideneamino)butyl (10S)-10-heptyl-6-pentyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxylate

4-(diaminomethylideneamino)butyl (10S)-10-heptyl-6-pentyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxylate

4-(diaminomethylideneamino)butyl (10S)-10-heptyl-6-pentyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxylate structure

CAS No:
161503-24-8
Formula:
C27H48N6O2
Chemical Name:
4-(diaminomethylideneamino)butyl (10S)-10-heptyl-6-pentyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxylate
Synonyms:
Batzelladine C;161503-24-8;4-guanidinobutyl heptyl(pentyl)[?]carboxylate

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4-(diaminomethylideneamino)butyl (10S)-10-heptyl-6-pentyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxylate Basic Attributes

Molecular Weight：

488.7 g/mol

Exact Mass：

488.38387480 g/mol

Characteristics

PSA：

118 Å²

Computed Properties

Molecular Weight:488.7
XLogP3:4.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:17
Exact Mass:488.38387480
Monoisotopic Mass:488.38387480
Topological Polar Surface Area:118
Heavy Atom Count:35
Complexity:774
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(diaminomethylideneamino)butyl (10S)-10-heptyl-6-pentyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxylate

Basic Attributes
Characteristics
Computed Properties
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