Basic information
- Standard SMILES
O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2cccn2Cc2ccsc21- InChIKey
WNEZIWPXYWMZFL-UHFFFAOYSA-N- Molecular formula
- C17H13N3O3S
- Average molar mass
- 339.4 g/mol
Names & identifiers
- Preferred name
- 9,10-Dihydro-10-(4-nitrobenzoyl)-4H-pyrrolo[1,2-a]thieno[2,3-e][1,4]diazepine
- IUPAC
- (4-nitrophenyl)-(6-thia-1,8-diazatricyclo[8.3.0.03,7]trideca-3(7),4,10,12-tetraen-8-yl)methanone
Names & synonyms
SCHEMBL7333960WNEZIWPXYWMZFL-UHFFFAOYSA-N9,10-dihydro-10-(4-nitrobenzoyl)-4H-pyrrolo-[1,2-a]thieno[2,3-e][1,4]-diazepine9,10-dihydro-10-(4-nitrobenzoyl)-4H-pyrrolo-[1,2-a]thieno[2,3-e][1,4]diazepine9,10-Dihydro-10-(4-nitrobenzoyl)-4H-pyrrolo-[1,2-a]thieno[2,3-e][1,41diazepine9,10-Dihydro-10-(4-nitrobenzoyl)-4H-pyrrolo[1,2-a]thieno[2,3-e][1,4]diazepine9,10-Dihydro-10-(4-nitrobenzoyl]-4H-pyrrolo-[1,2-a]thieno[2.3-e][1,4]diazepine
Database identifiers
- PubChem CID
- 21837151
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 504
Related reactions
23 records
Compound notes
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