AA19898
1149705-71-4 | XL888
Manufacturer: A2B Chem
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CatalogNumber
AA19898
ChemicalName
XL888
CasNumber
1149705-71-4
MolecularFormula
C29H37N5O3
MolecularWeight
503.6358
MdlNumber
MFCD22124888
Smiles
CC[C@H](Nc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3c2ccc(cn2)C(=O)C2CC2)c(cc1C(=O)N)C)C
Complexity
849
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
37
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
9
UndefinedAtomStereocenterCount
2
Xlogp3
4.7
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CatalogNumber: AA19898
ChemicalName: XL888
CasNumber: 1149705-71-4
MolecularFormula: C29H37N5O3
MolecularWeight: 503.6358
MdlNumber: MFCD22124888
Smiles: CC[C@H](Nc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3c2ccc(cn2)C(=O)C2CC2)c(cc1C(=O)N)C)C
Complexity: 849
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 37
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 9
UndefinedAtomStereocenterCount: 2
Xlogp3: 4.7
CatalogNumber:
AA19898
ChemicalName:
XL888
CasNumber:
1149705-71-4
MolecularFormula:
C29H37N5O3
MolecularWeight:
503.6358
MdlNumber:
MFCD22124888
Smiles:
CC[C@H](Nc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3c2ccc(cn2)C(=O)C2CC2)c(cc1C(=O)N)C)C
Complexity:
849
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
37
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
9
UndefinedAtomStereocenterCount:
2
Xlogp3:
4.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CNCN1Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CNCN1Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NCN(C1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NCN(C1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(OC)cc(c1)C(=S)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(OC)cc(c1)C(=S)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__