CC(C)(C)OC(=O)N1CC2=C(C=CC(=C2)Cl)NC(=O)C1
CAS: 1226808-00-9
الاسم: tert-butyl 7-chloro-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate
SMILES: CC(C)(C)OC(=O)N1CC2=C(C=CC(=C2)Cl)NC(=O)C1

Molecular Processing

Molecular formula
C14H17ClN2O3
Molecular weight
296.75
Exact mass
296.0928
XLogP
3.03
TPSA
58.64
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
76.73

Supplementary Information

InChIKey: ORICBLUVZGJEFV-UHFFFAOYSA-N
مرادفات
1226808-00-9DTXSID70737194tert-Butyl 7-chloro-2-oxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylateRefChem:383721DTXCID20687938TERT-BUTYL 7-CHLORO-2-OXO-2,3-DIHYDRO-1H-BENZO[E][1,4]DIAZEPINE-4(5H)-CARBOXYLATEtert-butyl 7-chloro-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylatetert-Butyl 7-chloro-2-oxo-1,2,3,5-tetrahydro-4H-benzo[e][1,4]diazepine-4-carboxylateSCHEMBL2359709ORICBLUVZGJEFV-UHFFFAOYSA-NZB1804CS-01278497-Chloro-2-oxo-1,2,3,5-tetrahydro-benzo[1,4]diazepine-4-carboxylic acid tert-butyl estertert-butyl 7-chloro-2-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carboxylateTERT-BUTYL7-CHLORO-2-OXO-2,3-DIHYDRO-1H-BENZO[E][1,4]DIAZEPINE-4(5H)-CARBOXYLATE
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