CC(CC#C)C(=O)N1C2=CC=CC=C2C(=O)NC3=C1N=CC=C3
이름: 11-(2-methylpent-4-ynoyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SMILES: CC(CC#C)C(=O)N1C2=CC=CC=C2C(=O)NC3=C1N=CC=C3

Molecular Processing

Molecular formula
C18H15N3O2
Molecular weight
305.34
Exact mass
305.1164
XLogP
2.97
TPSA
62.3
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
88.39

Supplementary Information

InChIKey: AYAOKIWGQMVIOP-UHFFFAOYSA-N
동의어
SCHEMBL10660130AYAOKIWGQMVIOP-UHFFFAOYSA-N5,11-Dihydro-11-[1-oxo-2-methyl-4-pentynyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
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