AE35801
1222998-36-8 | Torin 1
Manufacturer: A2B Chem
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CatalogNumber
AE35801
ChemicalName
Torin 1
CasNumber
1222998-36-8
MolecularFormula
C35H28F3N5O2
MolecularWeight
607.6243
MdlNumber
MFCD18782653
Smiles
CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)n1c(=O)ccc2c1c1cc(ccc1nc2)c1cnc2c(c1)cccc2
Complexity
1110
Covalently-bondedUnitCount
1
HeavyAtomCount
45
HydrogenBondAcceptorCount
8
RotatableBondCount
4
Xlogp3
6
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CatalogNumber: AE35801
ChemicalName: Torin 1
CasNumber: 1222998-36-8
MolecularFormula: C35H28F3N5O2
MolecularWeight: 607.6243
MdlNumber: MFCD18782653
Smiles: CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)n1c(=O)ccc2c1c1cc(ccc1nc2)c1cnc2c(c1)cccc2
Complexity: 1110
Covalently-bondedUnitCount: 1
HeavyAtomCount: 45
HydrogenBondAcceptorCount: 8
RotatableBondCount: 4
Xlogp3: 6
CatalogNumber:
AE35801
ChemicalName:
Torin 1
CasNumber:
1222998-36-8
MolecularFormula:
C35H28F3N5O2
MolecularWeight:
607.6243
MdlNumber:
MFCD18782653
Smiles:
CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)n1c(=O)ccc2c1c1cc(ccc1nc2)c1cnc2c(c1)cccc2
Complexity:
1110
Covalently-bondedUnitCount:
1
HeavyAtomCount:
45
HydrogenBondAcceptorCount:
8
RotatableBondCount:
4
Xlogp3:
6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@@H]1CC[C@H](CC1)CN(C)C.CC(=O)O.CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
N[C@@H]1CC[C@H](CC1)CN(C)C.CC(=O)O.CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccc(c(c1)Cl)O[C@H]1[C@@H](Cc2c1cccc2)N1CCC[C@H](C1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc(c(c1)Cl)O[C@H]1[C@@H](Cc2c1cccc2)N1CCC[C@H](C1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccc(c(c1)Cl)O[C@H]1[C@@H](Cc2c1cccc2)N1CCC[C@H](C1)N.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc(c(c1)Cl)O[C@H]1[C@@H](Cc2c1cccc2)N1CCC[C@H](C1)N.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__