Methyl (6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamate
Basic information
- CAS
6109-83-7- Standard SMILES
COC(=O)Nc1sc2c(c1C(N)=O)CCC(C(C)(C)C)C2- InChIKey
CWRXRZMXQGTNPM-UHFFFAOYSA-N- Molecular formula
- C15H22N2O3S
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.13511374
Names & identifiers
- Preferred name
- Methyl (6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamate
- IUPAC
- methyl N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamate
Names & synonyms
methyl (6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamate6109-83-7ST50919242CBMicro_004331methyl N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamateOprea1_007698DTXSID80387306SMSF0014122STK376288AKOS003270209AKOS022062405CB06217
Show more names
BIM-0004219.P001SR-01000227924SR-01000227924-16-(tert-butyl)-2-(methoxycarbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3- carboxamidemethyl [3-(aminocarbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]carbamate
Database identifiers
- CAS
6109-83-7- PubChem CID
- 2886313
- DTXSID
DTXSID80387306
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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