N-(1-Methylethyl)-N'-[2-[methyl-(2-phenylethyl)amino]ethyl]-N-[2-(phenylsulfonyl)ethyl]urea hemihydrate

HCID 70419535
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Basic information

Standard SMILES
CC(C)N(CCS(=O)(=O)c1ccccc1)C(=O)NCCN(C)CCc1ccccc1.CC(C)N(CCS(=O)(=O)c1ccccc1)C(=O)NCCN(C)CCc1ccccc1.O
InChIKey
FSQZJWVECCICSL-UHFFFAOYSA-N
Molecular formula
C46H68N6O7S2
Average molar mass
881.2 g/mol

Names & identifiers

Preferred name
N-(1-Methylethyl)-N'-[2-[methyl-(2-phenylethyl)amino]ethyl]-N-[2-(phenylsulfonyl)ethyl]urea hemihydrate
IUPAC
bis(1-[2-(benzenesulfonyl)ethyl]-3-[2-[methyl(2-phenylethyl)amino]ethyl]-1-propan-2-ylurea);hydrate

Names & synonyms

SCHEMBL10687352FSQZJWVECCICSL-UHFFFAOYSA-NN-(1-Methylethyl)-N'-[2-[methyl-(2-phenylethyl)amino]ethyl]-N-[2-(phenylsulfonyl)ethyl]urea hemihydrate

Database identifiers

PubChem CID
70419535

Properties

Computed structural properties

Topological polar surface area
157 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
22
Heavy atoms
61

Related reactions

2 records
New reaction record

Linked notes

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