CS-0544177
3-(7-Chloro-9-methoxy-3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)benzonitrile
Manufacturer: ChemScene
CAS Number: 1340947-28-5
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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
C₁₇H₁₃ClN₂O₃
Molecular Weight
328.75
Synonyms
None
SMILES
COC1=CC(=CC2=C1OCC(=O)N(C2)C3=CC=CC(=C3)C#N)Cl
Tpsa
62.56
Logp
3.14588
H Acceptors
4
H Donors
0
Rotatable Bonds
2
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: C₁₇H₁₃ClN₂O₃
Molecular Weight: 328.75
Synonyms: None
SMILES: COC1=CC(=CC2=C1OCC(=O)N(C2)C3=CC=CC(=C3)C#N)Cl
Tpsa: 62.56
Logp: 3.14588
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₃ClN₂O₃
Molecular Weight:
328.75
Synonyms:
None
SMILES:
COC1=CC(=CC2=C1OCC(=O)N(C2)C3=CC=CC(=C3)C#N)Cl
Tpsa:
62.56
Logp:
3.14588
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₃N₃O₃S
Molecular Weight: 315.35
Synonyms: None
SMILES: O=C(O)CN1C=C(C2=CC=CC=C2)C(NC3=S)=C1C(N3C)=O
Tpsa: 80.02
Logp: 2.14919
H Acceptors: 5
H Donors: 2
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:
C₁₅H₁₃N₃O₃S
Molecular Weight:
315.35
Synonyms:
None
SMILES:
O=C(O)CN1C=C(C2=CC=CC=C2)C(NC3=S)=C1C(N3C)=O
Tpsa:
80.02
Logp:
2.14919
H Acceptors:
5
H Donors:
2
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: C₁₃H₁₁Cl₂N₃O
Molecular Weight: 296.15
Synonyms: None
SMILES: C1=CC=C(C(=C1)N/N=C/C2=CC(=CN2)C(=O)CCl)Cl
Tpsa: 57.25
Logp: 3.5356
H Acceptors: 3
H Donors: 2
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:
C₁₃H₁₁Cl₂N₃O
Molecular Weight:
296.15
Synonyms:
None
SMILES:
C1=CC=C(C(=C1)N/N=C/C2=CC(=CN2)C(=O)CCl)Cl
Tpsa:
57.25
Logp:
3.5356
H Acceptors:
3
H Donors:
2
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: C₁₆H₁₆N₄O₂
Molecular Weight: 296.32
Synonyms: 2-(4-BENZYL-3-METHYL-5-OXO-2,5-DIHYDRO-1H-PYRAZOL-1-YL)-6-METHYL-4(3H)-PYRIMIDINONE
SMILES: O=C1NC(N2NC(C)=C(CC3=CC=CC=C3)C2=O)=NC(C)=C1
Tpsa: 83.54
Logp: 1.45654
H Acceptors: 4
H Donors: 2
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:
C₁₆H₁₆N₄O₂
Molecular Weight:
296.32
Synonyms:
2-(4-BENZYL-3-METHYL-5-OXO-2,5-DIHYDRO-1H-PYRAZOL-1-YL)-6-METHYL-4(3H)-PYRIMIDINONE
SMILES:
O=C1NC(N2NC(C)=C(CC3=CC=CC=C3)C2=O)=NC(C)=C1
Tpsa:
83.54
Logp:
1.45654
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3