C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)N)n1)c1cnc(-c2ccc(Cl)cc2)s1
SMILES: C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)N)n1)c1cnc(-c2ccc(Cl)cc2)s1

Molecular Processing

Molecular formula
C20H21ClN6O2S
Molecular weight
444.95
Exact mass
444.1135
XLogP
4.1
TPSA
106.26
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
117.89

Supplementary Information

상세 정보 불러오는 중…

1개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→