AB52183
171228-49-2 | Posaconazole
Manufacturer: A2B Chem
The price for this product is unavailable. Please request a quote
CatalogNumber
AB52183
ChemicalName
Posaconazole
CasNumber
171228-49-2
MolecularFormula
C37H42F2N8O4
MolecularWeight
700.7774
MdlNumber
MFCD28138428
Smiles
CC[C@H](n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1CO[C@@](C1)(Cn1cncn1)c1ccc(cc1F)F)[C@@H](O)C
Complexity
1170
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
51
HydrogenBondAcceptorCount
11
HydrogenBondDonorCount
1
RotatableBondCount
12
Xlogp3
4.6
Related Products
Compare Similar Items
Show Difference
CatalogNumber: AB52183
ChemicalName: Posaconazole
CasNumber: 171228-49-2
MolecularFormula: C37H42F2N8O4
MolecularWeight: 700.7774
MdlNumber: MFCD28138428
Smiles: CC[C@H](n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1CO[C@@](C1)(Cn1cncn1)c1ccc(cc1F)F)[C@@H](O)C
Complexity: 1170
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 51
HydrogenBondAcceptorCount: 11
HydrogenBondDonorCount: 1
RotatableBondCount: 12
Xlogp3: 4.6
CatalogNumber:
AB52183
ChemicalName:
Posaconazole
CasNumber:
171228-49-2
MolecularFormula:
C37H42F2N8O4
MolecularWeight:
700.7774
MdlNumber:
MFCD28138428
Smiles:
CC[C@H](n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1CO[C@@](C1)(Cn1cncn1)c1ccc(cc1F)F)[C@@H](O)C
Complexity:
1170
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
51
HydrogenBondAcceptorCount:
11
HydrogenBondDonorCount:
1
RotatableBondCount:
12
Xlogp3:
4.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)C1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl)C(=O)COC(=O)CC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)C1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl)C(=O)COC(=O)CC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52185
ChemicalName: Veliparib
CasNumber: 912444-00-9
MolecularFormula: C13H16N4O
MolecularWeight: 244.2923
MdlNumber: MFCD16661059
Smiles: NC(=O)c1cccc2c1[nH]c(n2)[C@@]1(C)CCCN1
Complexity: 348
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AB52185
ChemicalName:
Veliparib
CasNumber:
912444-00-9
MolecularFormula:
C13H16N4O
MolecularWeight:
244.2923
MdlNumber:
MFCD16661059
Smiles:
NC(=O)c1cccc2c1[nH]c(n2)[C@@]1(C)CCCN1
Complexity:
348
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
0.5
CatalogNumber: AB52186
ChemicalName: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine
CasNumber: 184475-35-2
MolecularFormula: C22H24ClFN4O3
MolecularWeight: 446.9024
MdlNumber: MFCD04307832
Smiles: COc1cc2ncnc(c2cc1OCCCN1CCOCC1)Nc1ccc(c(c1)Cl)F
Complexity: 545
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 8
Xlogp3: 4.1
CatalogNumber:
AB52186
ChemicalName:
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine
CasNumber:
184475-35-2
MolecularFormula:
C22H24ClFN4O3
MolecularWeight:
446.9024
MdlNumber:
MFCD04307832
Smiles:
COc1cc2ncnc(c2cc1OCCCN1CCOCC1)Nc1ccc(c(c1)Cl)F
Complexity:
545
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
8
Xlogp3:
4.1