AV18453
1341192-02-6 | (S)-tert-Butyl 3-oxo-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AV18453
ChemicalName
(S)-tert-Butyl 3-oxo-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
CasNumber
1341192-02-6
MolecularFormula
C15H23F3N2O3
MolecularWeight
336.3499
MdlNumber
MFCD22209660
Smiles
O=C1NCC2([C@H](C1)C(F)(F)F)CCN(CC2)C(=O)OC(C)(C)C
Complexity
477
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AV18453
ChemicalName: (S)-tert-Butyl 3-oxo-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
CasNumber: 1341192-02-6
MolecularFormula: C15H23F3N2O3
MolecularWeight: 336.3499
MdlNumber: MFCD22209660
Smiles: O=C1NCC2([C@H](C1)C(F)(F)F)CCN(CC2)C(=O)OC(C)(C)C
Complexity: 477
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AV18453
ChemicalName:
(S)-tert-Butyl 3-oxo-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
CasNumber:
1341192-02-6
MolecularFormula:
C15H23F3N2O3
MolecularWeight:
336.3499
MdlNumber:
MFCD22209660
Smiles:
O=C1NCC2([C@H](C1)C(F)(F)F)CCN(CC2)C(=O)OC(C)(C)C
Complexity:
477
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1C[C@@H]2[C@H](C1)[C@H](CO2)C(=O)O)OC(C)(C)C
Complexity: 362
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1C[C@@H]2[C@H](C1)[C@H](CO2)C(=O)O)OC(C)(C)C
Complexity:
362
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.4
CatalogNumber: AV18457
ChemicalName: 4-Methylhexa-2,4-dienoic acid
CasNumber: 69804-82-6
MolecularFormula: C7H10O2
MolecularWeight: 126.1531
MdlNumber: MFCD00017401
Smiles: CC(=CC)/C=C/C(=O)O
Complexity: 154
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AV18457
ChemicalName:
4-Methylhexa-2,4-dienoic acid
CasNumber:
69804-82-6
MolecularFormula:
C7H10O2
MolecularWeight:
126.1531
MdlNumber:
MFCD00017401
Smiles:
CC(=CC)/C=C/C(=O)O
Complexity:
154
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cc2cc[nH]c2cc1F
Complexity: 222
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cc2cc[nH]c2cc1F
Complexity:
222
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7