2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-3-methyl-4-(2-methyl-2-propenyl)-, (3S)-
Basic information
- CAS
258849-89-7- Standard SMILES
C=C(C)CN1Cc2cc(Cl)ccc2NC(=O)[C@@H]1C- InChIKey
LPXYSBDESRHYBT-JTQLQIEISA-N- Molecular formula
- C14H17ClN2O
- Average molar mass
- 264.75 g/mol
- Monoisotopic mass
- 264.1029409
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-3-methyl-4-(2-methyl-2-propenyl)-, (3S)-
- IUPAC
- (3S)-7-chloro-3-methyl-4-(2-methylprop-2-enyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Names & synonyms
258849-89-72H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-3-methyl-4-(2-methyl-2-propenyl)-, (3S)-(S)-7-Chloro-3-methyl-4-(2-methyl-allyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one(3s)-7-chloro-3-methyl-4-(2-methylprop-2-en-1-yl)-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-oneDTXSID10180529(3S)-7-chloro-3-methyl-4-(2-methylallyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Database identifiers
- CAS
258849-89-7- PubChem CID
- 475614
- DTXSID
DTXSID10180529
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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