CC(C)(C)OC(=O)N1CC2=C(C=CC(=C2)Cl)NC(=S)C1
CAS: 1226807-97-1
الاسم: tert-butyl 7-chloro-2-sulfanylidene-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate
SMILES: CC(C)(C)OC(=O)N1CC2=C(C=CC(=C2)Cl)NC(=S)C1

Molecular Processing

Molecular formula
C14H17ClN2O2S
Molecular weight
312.82
Exact mass
312.0699
XLogP
3.83
TPSA
41.57
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
84.32

Supplementary Information

InChIKey: DQVONBHFDVHMJA-UHFFFAOYSA-N
مرادفات
SCHEMBL2359726DQVONBHFDVHMJA-UHFFFAOYSA-NEX-A16030G1226807-97-1tert-butyl 7-chloro-2-thioxo-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate4H-1,4-Benzodiazepine-4-carboxylic acid, 7-chloro-1,2,3,5-tetrahydro-2-thioxo-, 1,1-dimethylethyl ester7-Chloro-2-thioxo-1,2,3,5-tetrahydro-benzo[e][1,4]diazepine-4-carboxylic acid tert-butyl ester
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