AE98781
172889-27-9 | PP2
Manufacturer: A2B Chem
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CatalogNumber
AE98781
ChemicalName
PP2
CasNumber
172889-27-9
MolecularFormula
C15H16ClN5
MolecularWeight
301.774
MdlNumber
MFCD01568210
Smiles
Clc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C
Complexity
364
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AE98781
ChemicalName: PP2
CasNumber: 172889-27-9
MolecularFormula: C15H16ClN5
MolecularWeight: 301.774
MdlNumber: MFCD01568210
Smiles: Clc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C
Complexity: 364
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AE98781
ChemicalName:
PP2
CasNumber:
172889-27-9
MolecularFormula:
C15H16ClN5
MolecularWeight:
301.774
MdlNumber:
MFCD01568210
Smiles:
Clc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C
Complexity:
364
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@H](C(=O)O)CCc1ccc(cc1)O)OCC1c2ccccc2c2c1cccc2
Complexity: 595
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H](C(=O)O)CCc1ccc(cc1)O)OCC1c2ccccc2c2c1cccc2
Complexity:
595
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]N=[N+](N1CCC[C@H]1C(=O)[O-])[O-].[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]N=[N+](N1CCC[C@H]1C(=O)[O-])[O-].[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)[nH]c(c2C[C@@H]1NC(=O)[C@H]2N(C1=O)CCC2)CC=C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)[nH]c(c2C[C@@H]1NC(=O)[C@H]2N(C1=O)CCC2)CC=C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__