AE81517
1533426-72-0 | SCR7
Manufacturer: A2B Chem
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CatalogNumber
AE81517
ChemicalName
SCR7
CasNumber
1533426-72-0
MolecularFormula
C18H14N4OS
MolecularWeight
334.395
MdlNumber
MFCD28900670
Smiles
S=c1[nH]c(/N=C/c2ccccc2)c(c(=O)[nH]1)/N=C/c1ccccc1
Complexity
570
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
2.6
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CatalogNumber: AE81517
ChemicalName: SCR7
CasNumber: 1533426-72-0
MolecularFormula: C18H14N4OS
MolecularWeight: 334.395
MdlNumber: MFCD28900670
Smiles: S=c1[nH]c(/N=C/c2ccccc2)c(c(=O)[nH]1)/N=C/c1ccccc1
Complexity: 570
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.6
CatalogNumber:
AE81517
ChemicalName:
SCR7
CasNumber:
1533426-72-0
MolecularFormula:
C18H14N4OS
MolecularWeight:
334.395
MdlNumber:
MFCD28900670
Smiles:
S=c1[nH]c(/N=C/c2ccccc2)c(c(=O)[nH]1)/N=C/c1ccccc1
Complexity:
570
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3C(=O)NC1=O)N(C(=O)c1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3C(=O)NC1=O)N(C(=O)c1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE81519
ChemicalName: 4-(4-Boc-piperazin-1-yl)-3-fluoroaniline
CasNumber: 154590-35-9
MolecularFormula: C15H22FN3O2
MolecularWeight: 295.3525
MdlNumber: MFCD08443960
Smiles: Nc1ccc(c(c1)F)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 364
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AE81519
ChemicalName:
4-(4-Boc-piperazin-1-yl)-3-fluoroaniline
CasNumber:
154590-35-9
MolecularFormula:
C15H22FN3O2
MolecularWeight:
295.3525
MdlNumber:
MFCD08443960
Smiles:
Nc1ccc(c(c1)F)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
364
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(Oc1ccc(cc1F)c1nn(c2c1c(N)ncn2)[C@H](c1oc2ccc(cc2c(=O)c1c1cccc(c1)F)F)C)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(Oc1ccc(cc1F)c1nn(c2c1c(N)ncn2)[C@H](c1oc2ccc(cc2c(=O)c1c1cccc(c1)F)F)C)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__