CCCCN1CCOc2c(Br)cc(C(=O)OC)cc21
이름: methyl 8-bromo-4-butyl-2,3-dihydro-1,4-benzoxazine-6-carboxylate
SMILES: CCCCN1CCOc2c(Br)cc(C(=O)OC)cc21

Molecular Processing

Molecular formula
C14H18BrNO3
Molecular weight
328.21
Exact mass
327.047
XLogP
3.23
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
78.1

Supplementary Information

InChIKey: UJFPETCUCGDESF-UHFFFAOYSA-N
동의어
SCHEMBL3350806UJFPETCUCGDESF-UHFFFAOYSA-NMethyl 8-bromo-4-butyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
출처 보기 →
5개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→