C1COC2=C(C3=C1C=C(S3)Br)N=C(C=C2)Cl
CAS: 1189817-65-9
이름: 4-bromo-13-chloro-9-oxa-3-thia-14-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene
SMILES: C1COC2=C(C3=C1C=C(S3)Br)N=C(C=C2)Cl

Molecular Processing

Molecular formula
C11H7BrClNOS
Molecular weight
316.61
Exact mass
314.912
XLogP
4.16
TPSA
22.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
16
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
0.182
Molar refractivity
69.46

Supplementary Information

InChIKey: XVLNMPLPZIKEIH-UHFFFAOYSA-N
동의어
1189817-65-99-Bromo-2-chloro-6,7-dihydrothieno[2',3':4,5]oxepino[3,2-b]pyridineSCHEMBL1484735XVLNMPLPZIKEIH-UHFFFAOYSA-NF513882-Bromo-9-chloro-4,5-dihydro-6-oxa-1-thia-10-aza-benzo[e]azulene2-chloro-6,7-dihydro-9-bromopyrido[3,2-b]thieno[2,3-d]oxepine
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