CC1=C2C(=NS1)C3=CC=C(C=C3)OCC=CCCCNCC(=O)NC4=C(C=C(CN=C(NC2=O)N)C=C4Cl)Cl
Название: 9-amino-14,32-dichloro-5-methyl-26-oxa-4-thia-3,8,10,16,19-pentazatetracyclo[25.2.2.212,15.02,6]tritriaconta-1(29),2,5,9,12,14,23,27,30,32-decaene-7,17-dione
SMILES: CC1=C2C(=NS1)C3=CC=C(C=C3)OCC=CCCCNCC(=O)NC4=C(C=C(CN=C(NC2=O)N)C=C4Cl)Cl

Molecular Processing

Molecular formula
C27H28Cl2N6O3S
Molecular weight
587.53
Exact mass
586.1321
XLogP
4.93
TPSA
130.73
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
0
Heavy atoms
39
Rings
7
Aromatic rings
3
Saturated rings
0
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
156.91

Supplementary Information

InChIKey: OUFIQNVCUPPQOU-UHFFFAOYSA-N
Синонимы
SCHEMBL8231330OUFIQNVCUPPQOU-UHFFFAOYSA-N9-Amino-14,32-dichloro-5-methyl-26-oxa-4-thia-3,8,10,16,19-pentaazatetracyclo[25.2.2.212,15.02,6] tritriaconta-1(29),2,5,8,12,14,23,27,30,32-decaene-7,17-dione9-Amino-14,32-dichloro-5-methyl-26-oxa-4-thia-3,8,10,16,19-pentaazatetracyclo[25.2.2.212,15.02,6]tritriaconta-1(29),2,5,8,12,14,23,27,30,32-decaene-7,17-dione
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