Basic information
- Standard SMILES
C=CCN(CC=C)Cc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)s1- InChIKey
PYSFNXNPCWEKKF-UHFFFAOYSA-N- Molecular formula
- C23H29N3O3S
- Average molar mass
- 427.6 g/mol
Names & identifiers
- Preferred name
- {2-[(5-Diallylaminomethyl-thiophene-2-carbonyl)-amino]-phenyl}-carbamic acid t-butyl ester
- IUPAC
- tert-butyl N-[2-[[5-[[bis(prop-2-enyl)amino]methyl]thiophene-2-carbonyl]amino]phenyl]carbamate
Names & synonyms
SCHEMBL6076142PYSFNXNPCWEKKF-UHFFFAOYSA-N{2-[(5-Diallylaminomethyl-thiophene-2-carbonyl)-amino]-phenyl}-carbamic acid t-butyl ester
Database identifiers
- PubChem CID
- 69655347
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 595
Related reactions
2 records
Compound notes
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