이름: 2-propan-2-yl-5,10-dihydro-[1,3]thiazolo[4,5-c][1,5]benzodiazepine-4-thione
SMILES:
CC(C)C1=NC2=C(S1)NC3=CC=CC=C3NC2=SMolecular Processing
Molecular formula
C13H13N3S2
Molecular weight
275.4
Exact mass
275.0551
XLogP
4.11
TPSA
36.95
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
81.25
Supplementary Information
InChIKey: PDFSCJSCTUYQQI-UHFFFAOYSA-N
동의어
SCHEMBL4843841PDFSCJSCTUYQQI-UHFFFAOYSA-N2-isopropyl-4,9-dihydro-3-thia-1,4,9-triaza-benzo[f]azulene-10-thione2-isopropyl-4,9-dihydro-3-thia-1,4,9-triazabenzo[f]azulene-10-thione
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