9,10-Dihydro-10-(4-nitrobenzoyl)-4H-pyrrolo[1,2-a]thieno[2,3-e][1,4]diazepine

HCID 21837151

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

Related reactions

23 records

Compound notes

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