N-{2-[(2-methoxybenzoyl)amino]ethyl}-1,3-benzothiazole-2-carboxamide
Basic information
- CAS
1219543-97-1- Standard SMILES
COc1ccccc1C(=O)NCCNC(=O)c1nc2ccccc2s1- InChIKey
BOTQRVXBKXXXQI-UHFFFAOYSA-N- Molecular formula
- C18H17N3O3S
- Average molar mass
- 355.4 g/mol
Names & identifiers
- Preferred name
- N-{2-[(2-methoxybenzoyl)amino]ethyl}-1,3-benzothiazole-2-carboxamide
- IUPAC
- N-[2-[(2-methoxybenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide
- English name
- N-(2-{[(2-methoxyphenyl)carbonyl]amino}ethyl)-1,3-benzothiazole-2-carboxamide
- Molecular formula
- C18H17N3O3S
- Molecular weight
- 355.41
Names & synonyms
1219543-97-1N-{2-[(2-methoxybenzoyl)amino]ethyl}-1,3-benzothiazole-2-carboxamideSTK939814AKOS005668983AO-365/43474753N-(2-(2-methoxybenzamido)ethyl)benzo[d]thiazole-2-carboxamideN-(2-{[(2-methoxyphenyl)carbonyl]amino}ethyl)-1,3-benzothiazole-2-carboxamide2-Benzothiazolecarboxamide, N-[2-[(2-methoxybenzoyl)amino]ethyl]-
Database identifiers
- CAS
1219543-97-1
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 476
Physicochemical properties
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- pka
- 11.9 · 11.90±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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