AA49188
136586-99-7 | Aminotriester
Manufacturer: A2B Chem
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CatalogNumber
AA49188
ChemicalName
Aminotriester
CasNumber
136586-99-7
MolecularFormula
C22H41NO6
MolecularWeight
415.564
MdlNumber
MFCD07357283
Smiles
O=C(OC(C)(C)C)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)N
Complexity
485
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
15
Xlogp3
2.7
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CatalogNumber: AA49188
ChemicalName: Aminotriester
CasNumber: 136586-99-7
MolecularFormula: C22H41NO6
MolecularWeight: 415.564
MdlNumber: MFCD07357283
Smiles: O=C(OC(C)(C)C)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)N
Complexity: 485
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 15
Xlogp3: 2.7
CatalogNumber:
AA49188
ChemicalName:
Aminotriester
CasNumber:
136586-99-7
MolecularFormula:
C22H41NO6
MolecularWeight:
415.564
MdlNumber:
MFCD07357283
Smiles:
O=C(OC(C)(C)C)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)N
Complexity:
485
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
15
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC1Nc2ccccc2NC1=O
Complexity: 280
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC1Nc2ccccc2NC1=O
Complexity:
280
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(CCCNc1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(CCCNc1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cccc2c1c(Br)ccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cccc2c1c(Br)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__