C1COC2=C(C=CC(=C2)Br)C3=C1SC(=N3)NN
이름: (8-bromo-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)hydrazine
SMILES: C1COC2=C(C=CC(=C2)Br)C3=C1SC(=N3)NN

Molecular Processing

Molecular formula
C11H10BrN3OS
Molecular weight
312.19
Exact mass
310.9728
XLogP
2.79
TPSA
60.17
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
72.26

Supplementary Information

InChIKey: QQVXPCILSWMFNU-UHFFFAOYSA-N
동의어
SCHEMBL988703QQVXPCILSWMFNU-UHFFFAOYSA-N(8-Bromo-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-yl)-hydrazine
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