Basic information
- CAS
200863-34-9- Standard SMILES
O=C(Nc1ccccc1)N(C1=NCCCCS1)c1ccccc1- InChIKey
GDFHIKDWYBDGOJ-UHFFFAOYSA-N- Molecular formula
- C18H19N3OS
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.12488341
Names & identifiers
- Preferred name
- N,N'-Diphenyl-N'-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)urea
- IUPAC
- 1,3-diphenyl-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)urea
Names & synonyms
200863-34-9N,N'-Diphenyl-N'-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)ureaRefChem:3585041,3-diphenyl-1-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)ureaN,N'-diphenyl-N-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)urea1,3-Diphenyl-1-(4,5,6,7-tetrahydro-[1,3]thiazepin-2-yl)-ureaSMR000008680MLS000030895MLS002536083CHEMBL1419001DTXSID201184495HMS1679K18
Show more names
HMS2180N18STK805513AKOS000601859ST50224521N,Na(2)-Diphenyl-Na(2)-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)ureaN-(4,5-dihydro-6H,7H-1,3-thiazepin-2-yl)-N-phenyl(phenylamino)carboxamide
Database identifiers
- CAS
200863-34-9- PubChem CID
- 650974
- DTXSID
DTXSID201184495- ChEMBL
CHEMBL1419001
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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