5-Tert-butyl-8'-methoxy-3-methyl-6'-nitro-3'-propan-2-ylspiro[1,3-thiazolidine-2,2'-chromene]
Basic information
- CAS
70349-84-7- Standard SMILES
COc1cc([N+](=O)[O-])cc2c1OC1(SC(C(C)(C)C)CN1C)C(C(C)C)=C2- InChIKey
YAACIJIFEUSBTD-UHFFFAOYSA-N- Molecular formula
- C20H28N2O4S
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.17697855
Names & identifiers
- Preferred name
- 5-Tert-butyl-8'-methoxy-3-methyl-6'-nitro-3'-propan-2-ylspiro[1,3-thiazolidine-2,2'-chromene]
- IUPAC
- 5-tert-butyl-8'-methoxy-3-methyl-6'-nitro-3'-propan-2-ylspiro[1,3-thiazolidine-2,2'-chromene]
Names & synonyms
70349-84-7NSC2812415-tert-butyl-8'-methoxy-3-methyl-6'-nitro-3'-propan-2-ylspiro[1,3-thiazolidine-2,2'-chromene]DTXSID70314202NSC-2812415'-tert-Butyl-8-methoxy-3'-methyl-6-nitro-3-(propan-2-yl)spiro[[1]benzopyran-2,2'-[1,3]thiazolidine]
Database identifiers
- CAS
70349-84-7- PubChem CID
- 322871
- DTXSID
DTXSID70314202
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 612
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Related reactions
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Compound notes
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