AB70122
78287-27-1 | (19S)-10,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Manufacturer: A2B Chem
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CatalogNumber
AB70122
ChemicalName
(19S)-10,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CasNumber
78287-27-1
MolecularFormula
C22H20N2O4
MolecularWeight
376.4052
MdlNumber
MFCD06657922
Smiles
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(c3Cn1c2=O)CC
Complexity
787
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AB70122
ChemicalName: (19S)-10,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CasNumber: 78287-27-1
MolecularFormula: C22H20N2O4
MolecularWeight: 376.4052
MdlNumber: MFCD06657922
Smiles: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(c3Cn1c2=O)CC
Complexity: 787
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AB70122
ChemicalName:
(19S)-10,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CasNumber:
78287-27-1
MolecularFormula:
C22H20N2O4
MolecularWeight:
376.4052
MdlNumber:
MFCD06657922
Smiles:
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(c3Cn1c2=O)CC
Complexity:
787
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: AB70123
ChemicalName: 7-Fluoro-1H-indazole
CasNumber: 341-24-2
MolecularFormula: C7H5FN2
MolecularWeight: 136.1264
MdlNumber: MFCD09026976
Smiles: Fc1cccc2c1[nH]nc2
Complexity: 129
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
AB70123
ChemicalName:
7-Fluoro-1H-indazole
CasNumber:
341-24-2
MolecularFormula:
C7H5FN2
MolecularWeight:
136.1264
MdlNumber:
MFCD09026976
Smiles:
Fc1cccc2c1[nH]nc2
Complexity:
129
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.7
CatalogNumber: AB70124
ChemicalName: 7-fluoro-2,3-dihydroinden-1-one
CasNumber: 651735-59-0
MolecularFormula: C9H7FO
MolecularWeight: 150.1497
MdlNumber: MFCD07368749
Smiles: O=C1CCc2c1c(F)ccc2
Complexity: 178
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
AB70124
ChemicalName:
7-fluoro-2,3-dihydroinden-1-one
CasNumber:
651735-59-0
MolecularFormula:
C9H7FO
MolecularWeight:
150.1497
MdlNumber:
MFCD07368749
Smiles:
O=C1CCc2c1c(F)ccc2
Complexity:
178
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cccc2c1n(C)nc2
Complexity: 151
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cccc2c1n(C)nc2
Complexity:
151
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7