Orf 17910
Basic information
- CAS
87107-94-6- Standard SMILES
CC1CCN(Cc2cccc(OCCCNC3=NS(=O)N=C3N)c2)CC1- InChIKey
PPMYJUCFCTXGKV-UHFFFAOYSA-N- Molecular formula
- C18H27N5O2S
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.18854629
Overview
structure given in first source
Names & identifiers
- Preferred name
- Orf 17910
- IUPAC
- 3-N-[3-[3-[(4-methylpiperidin-1-yl)methyl]phenoxy]propyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine
- English name
- ORF 17910
- Molecular weight
- 0
Names & synonyms
Orf 1791087107-94-6Orf-179101,2,5-Thiadiazole-3,4-diamine, N-(3-(3-((4-methyl-1-piperidinyl)methyl)phenoxy)propyl)-, 1-oxideBL-6548RefChem:168461Bl 65483-N-[3-[3-[(4-methylpiperidin-1-yl)methyl]phenoxy]propyl]-1-oxo-1,2,5-thiadiazole-3,4-diamineN-(4-Amino-1-oxo-1,2,5-thiadiazol-3-yl)-3-((3-(4-methyl-1-piperidinyl)methyl)phenoxy)propylamineorb1741001DTXSID201007342T68479
Show more names
N-[3-[3-[(4-Methyl-1-piperidinyl)methyl]phenoxy]propyl]-1,2,5-thiadiazole-3,4-diamine1-oxide
3-Amino-4-[(3-{3-[(4-methylpiperidin-1-yl)methyl]phenoxy}propyl)amino]-1H-1lambda~4~,2,5-thiadiazol-1-one
Database identifiers
- CAS
87107-94-6- PubChem CID
- 5487777
- DTXSID
DTXSID201007342
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 546
Chemistry & industry
Applications
DescriptionOrf 17910 is a histamine H2-receptor antagonist.
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Compound notes
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