Basic information
- CAS
545430-77-1- Standard SMILES
CCOc1ccc2nc(NC(=O)c3c(-c4ccccc4Cl)noc3C)sc2c1- InChIKey
NLHTVUAQEJAGGE-UHFFFAOYSA-N- Molecular formula
- C20H16ClN3O3S
- Average molar mass
- 413.9 g/mol
Names & identifiers
- Preferred name
- (3-(2-Chlorophenyl)-5-methylisoxazol-4-YL)-N-(6-ethoxybenzothiazol-2-YL)formamide
- IUPAC
- 3-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
- English name
- (3-(2-Chlorophenyl)-5-methylisoxazol-4-yl)-N-(6-ethoxybenzothiazol-2-yl)formamide
- Molecular formula
- C20H16ClN3O3S
- Molecular weight
- 413.88
Names & synonyms
545430-77-1(3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-N-(6-ETHOXYBENZOTHIAZOL-2-YL)FORMAMIDE3-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide3-(2-chlorophenyl)-N-(6-ethoxybenzo[d]thiazol-2-yl)-5-methylisoxazole-4-carboxamideMFCD00245813C20H16ClN3O3SVWA43077AKOS003799954MS-7300F0537-10543-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-isoxazole-4-carboxamide4-Isoxazolecarboxamide, 3-(2-chlorophenyl)-N-(6-ethoxy-2-benzothiazolyl)-5-methyl-
Database identifiers
- CAS
545430-77-1
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 557
Physicochemical properties
- Density
- 1.402 · 1.402±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.602 · 7.602±0.70(predicted)
Chemistry & industry
Suppliers4 total
Key Organics Ltd.[email protected]
MENAI[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…