NCCc1ccc(O)cc1.O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
SMILES: NCCc1ccc(O)cc1.O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

Molecular Processing

Molecular formula
C18H27N3O4S
Molecular weight
381.5
Exact mass
381.1722
XLogP
1.69
TPSA
124.68
H-bond donors
5
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.556
Molar refractivity
102.46

Supplementary Information

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