Basic information
- CAS
445038-00-6- Standard SMILES
CCOC(=O)c1sc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C(=O)OCC)c1C- InChIKey
DTLAOKQZWWIRTJ-UHFFFAOYSA-N- Molecular formula
- C23H31NO5S
- Average molar mass
- 433.6 g/mol
Names & identifiers
- Preferred name
- Diethyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate
- IUPAC
- diethyl 5-[[2-(1-adamantyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
- English name
- diethyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate
- Molecular formula
- C23H31NO5S
- Molecular weight
- 433.56094
Names & synonyms
diethyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylateAK-968/41022212STK960902AKOS003795510diethyl 5-[[2-(1-adamantyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylatediethyl 5-(2-(adamantan-1-yl)acetamido)-3-methylthiophene-2,4-dicarboxylateDIETHYL 5-{[2-(1-ADAMANTYL)ACETYL]AMINO}-3-METHYL-2,4-THIOPHENEDICARBOXYLATE445038-00-6diethyl 3-methyl-5-[(tricyclo[3.3.1.1~3,7~]dec-1-ylacetyl)amino]thiophene-2,4-dicarboxylate
Database identifiers
- CAS
445038-00-6
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 654
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…