CS-0563592
N-(3-cyano-4-(methylsulfonyl)phenyl)nicotinamide
Manufacturer: ChemScene
CAS Number: 860785-77-9
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₄H₁₁N₃O₃S
Molecular Weight
301.32
Synonyms
None
SMILES
CS(=O)(=O)C1=C(C=C(C=C1)NC(=O)C2=CN=CC=C2)C#N
Tpsa
99.92
Logp
1.60908
H Acceptors
5
H Donors
1
Rotatable Bonds
3
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₁N₃O₃S
Molecular Weight: 301.32
Synonyms: None
SMILES: CS(=O)(=O)C1=C(C=C(C=C1)NC(=O)C2=CN=CC=C2)C#N
Tpsa: 99.92
Logp: 1.60908
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₁N₃O₃S
Molecular Weight:
301.32
Synonyms:
None
SMILES:
CS(=O)(=O)C1=C(C=C(C=C1)NC(=O)C2=CN=CC=C2)C#N
Tpsa:
99.92
Logp:
1.60908
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₁N₃O₃
Molecular Weight: 303.36
Synonyms: ethyl 2-{3-methyl-5-oxo-4-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate
SMILES: CCOC(=O)CN1C(=O)N(C(=N1)C)C2=CC=C(C=C2)C(C)C
Tpsa: 66.12
Logp: 2.02892
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₁N₃O₃
Molecular Weight:
303.36
Synonyms:
ethyl 2-{3-methyl-5-oxo-4-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate
SMILES:
CCOC(=O)CN1C(=O)N(C(=N1)C)C2=CC=C(C=C2)C(C)C
Tpsa:
66.12
Logp:
2.02892
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₆N₄O
Molecular Weight: 256.30
Synonyms: None
SMILES: CC1=NN(C(=O)N1C2=CC=C(C=C2)C(C)C)CC#N
Tpsa: 63.61
Logp: 1.9894
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₆N₄O
Molecular Weight:
256.30
Synonyms:
None
SMILES:
CC1=NN(C(=O)N1C2=CC=C(C=C2)C(C)C)CC#N
Tpsa:
63.61
Logp:
1.9894
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₁₅N₃
Molecular Weight: 297.35
Synonyms: 4-[1,1'-biphenyl]-4-yl-2-(1H-pyrrol-1-yl)pyrimidine
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC=C3)N4C=CC=C4
Tpsa: 30.71
Logp: 4.6013
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₁₅N₃
Molecular Weight:
297.35
Synonyms:
4-[1,1'-biphenyl]-4-yl-2-(1H-pyrrol-1-yl)pyrimidine
SMILES:
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC=C3)N4C=CC=C4
Tpsa:
30.71
Logp:
4.6013
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3