WR 180872
Basic information
- CAS
60368-04-9- Standard SMILES
Nc1nc(N)c2c(n1)CCC(S(=O)(=O)c1ccc3ccccc3c1)C2- InChIKey
RVGOYYJACXCEJO-UHFFFAOYSA-N- Molecular formula
- C18H18N4O2S
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.115047
Overview
acted synergistically with WR 158,122; structure
Names & identifiers
- Preferred name
- WR 180872
- IUPAC
- 6-naphthalen-2-ylsulfonyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Names & synonyms
60368-04-9WR 180872WR 180,872WR-180872WR-180,872RefChem:1949986-naphthalen-2-ylsulfonyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine6-(Naphthalen-2-ylsulfonyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine6-(NAPHTHALENE-2-SULFONYL)-5,6,7,8-TETRAHYDROQUINAZOLINE-2,4-DIAMINECHEMBL19899392,4-Diamino-6-(2-naphthyl-sulfonyl)-5,6,7,8-tetrahydroquinazolineNSC305802
Show more names
NSC 305802NSC-305802NCI60_002596DS-0091412, 5,6,7,8-tetrahydro-6-(2-naphthalenylsulfonyl)-
Database identifiers
- CAS
60368-04-9- PubChem CID
- 173733
- ChEMBL
CHEMBL1989939
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 578
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Related reactions
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Compound notes
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