이름: {2-[3-(1-acetyl-2,3-dihydro-1H-indol-6-yl)-3-cyclopentylmethyl-ureido]-thiazol-5-ylsulfanyl}-acetic acid ethyl ester
SMILES:
CCOC(=O)CSc1cnc(NC(=O)N(CC2CCCC2)c2ccc3c(c2)N(C(C)=O)CC3)s1Molecular Processing
Molecular formula
C24H30N4O4S2
Molecular weight
502.66
Exact mass
502.1708
XLogP
4.94
TPSA
91.84
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
135.97
Supplementary Information
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