CCc1[nH]c(C(=O)N[C@@H]2CCN(c3ncc(C)s3)C[C@@H]2OC)nc1Cl
SMILES: CCc1[nH]c(C(=O)N[C@@H]2CCN(c3ncc(C)s3)C[C@@H]2OC)nc1Cl

Molecular Processing

Molecular formula
C16H22ClN5O2S
Molecular weight
383.91
Exact mass
383.1183
XLogP
2.41
TPSA
83.14
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
98.71

Supplementary Information

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