AV18465
1679330-18-7 | (E)-3-(Dimethylamino)-1-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-c]pyridin-3-yl)prop-2-en-1-one
Manufacturer: A2B Chem
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CatalogNumber
AV18465
ChemicalName
(E)-3-(Dimethylamino)-1-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-c]pyridin-3-yl)prop-2-en-1-one
CasNumber
1679330-18-7
MolecularFormula
C18H17N3O3S
MolecularWeight
355.4109
MdlNumber
MFCD30185798
Smiles
CN(/C=C/C(=O)c1cn(c2c1ccnc2)S(=O)(=O)c1ccccc1)C
Complexity
606
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
5
RotatableBondCount
5
Xlogp3
2.2
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CatalogNumber: AV18465
ChemicalName: (E)-3-(Dimethylamino)-1-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-c]pyridin-3-yl)prop-2-en-1-one
CasNumber: 1679330-18-7
MolecularFormula: C18H17N3O3S
MolecularWeight: 355.4109
MdlNumber: MFCD30185798
Smiles: CN(/C=C/C(=O)c1cn(c2c1ccnc2)S(=O)(=O)c1ccccc1)C
Complexity: 606
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 2.2
CatalogNumber:
AV18465
ChemicalName:
(E)-3-(Dimethylamino)-1-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-c]pyridin-3-yl)prop-2-en-1-one
CasNumber:
1679330-18-7
MolecularFormula:
C18H17N3O3S
MolecularWeight:
355.4109
MdlNumber:
MFCD30185798
Smiles:
CN(/C=C/C(=O)c1cn(c2c1ccnc2)S(=O)(=O)c1ccccc1)C
Complexity:
606
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CCc1cnn(c1)C
Complexity: 173
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)CCc1cnn(c1)C
Complexity:
173
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1C)[N+](=O)[O-]
Complexity: 460
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3
CatalogNumber:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1C)[N+](=O)[O-]
Complexity:
460
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccccc1Cl)NC1CCNCC1.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccccc1Cl)NC1CCNCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__