3-(5-Anilino-1,3,4-thiadiazol-2-yl)-6-methoxy-2h-chromen-2-one
Basic information
- Standard SMILES
COc1ccc2oc(=O)c(-c3nnc(Nc4ccccc4)s3)cc2c1- InChIKey
ITJSLCKDGQGVFB-UHFFFAOYSA-N- Molecular formula
- C18H13N3O3S
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.06776246
Names & identifiers
- Preferred name
- 3-(5-Anilino-1,3,4-thiadiazol-2-yl)-6-methoxy-2h-chromen-2-one
- IUPAC
- 3-(5-anilino-1,3,4-thiadiazol-2-yl)-6-methoxychromen-2-one
Names & synonyms
ZINC846036NSC709532Oprea1_758545Oprea1_8605343-(5-anilino-1,3,4-thiadiazol-2-yl)-6-methoxy-2h-chromen-2-oneMFCD01241742STK021242ZINC00846036AKOS000511774NSC-709532ZINC000000846036COc1ccc2c(c1)cc(c(=O)o2)c1nnc(s1)Nc1ccccc1
Show more names
AH-034/11696214SR-01000405989SR-01000405989-13(5ANILINO134THIADIAZOL2YL)6METHOXY2HCHROMEN2ONE3(5ANILINO134THIADIAZOL2YL)6METHOXYCHROMEN2ONE6METHOXY3(5(PHENYLAMINO)134THIADIAZOL2YL)2HCHROMEN2ONE6METHOXY3(5PHENYLAMINO(134)THIADIAZOL2YL)CHROMEN2ONECOC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NN=C(S3)NC4=CC=CC=C4
Database identifiers
- PubChem CID
- 399113
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 524
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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