[4-(3-Amino-2-methyl-cyclohex-1-en-1-yl)-3-methyl-phenyl]-(10,11-dihydro-5H-pyrrolo[2,1-c](1,4]benzodiazepin-10-yl)-methanone
Basic information
- Standard SMILES
CC1=C(c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2C)CCCC1N- InChIKey
SIHNPZBGPNYJDA-UHFFFAOYSA-N- Molecular formula
- C27H29N3O
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.23106256
Names & identifiers
- Preferred name
- [4-(3-Amino-2-methyl-cyclohex-1-en-1-yl)-3-methyl-phenyl]-(10,11-dihydro-5H-pyrrolo[2,1-c](1,4]benzodiazepin-10-yl)-methanone
- IUPAC
- [4-(3-amino-2-methylcyclohexen-1-yl)-3-methylphenyl]-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone
Names & synonyms
[4-(3-Amino-2-methyl-cyclohex-1-en-1-yl)-3-methyl-phenyl]-(10,11-dihydro-5H-pyrrolo[2,1-c](1,4]benzodiazepin-10-yl)-methanone[4-(3-Amino-2-methyl-cyclohex-1-en-1-yl)-3-methyl-phenyl]-(10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanoneSCHEMBL6068701SIHNPZBGPNYJDA-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 10158554
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 703
Related reactions
2 records
Compound notes
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