CS-0546316
(1,4-Diazepan-1-yl)(1-methyl-1H-pyrrol-2-yl)methanone hydrochloride
Manufacturer: ChemScene
CAS Number: 1582109-43-0
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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
C₁₁H₁₈ClN₃O
Molecular Weight
243.73
Synonyms
None
SMILES
Cl.O=C(C1=CC=CN1C)N2CCNCCC2
Tpsa
37.27
Logp
0.8824
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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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: C₁₁H₁₈ClN₃O
Molecular Weight: 243.73
Synonyms: None
SMILES: Cl.O=C(C1=CC=CN1C)N2CCNCCC2
Tpsa: 37.27
Logp: 0.8824
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₈ClN₃O
Molecular Weight:
243.73
Synonyms:
None
SMILES:
Cl.O=C(C1=CC=CN1C)N2CCNCCC2
Tpsa:
37.27
Logp:
0.8824
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₅Cl₂N₃S
Molecular Weight: 364.29
Synonyms: 3-(2,4-dichlorophenyl)-5-sulfanylidene-1,6-diazatricyclo[6.2.2.0^{2,7}]dodec-2(7)-ene-4-carbonitrile
SMILES: C1CN2CCC1C3=C2C(C(C(=S)N3)C#N)C4=C(C=C(C=C4)Cl)Cl
Tpsa: 39.06
Logp: 4.08458
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₅Cl₂N₃S
Molecular Weight:
364.29
Synonyms:
3-(2,4-dichlorophenyl)-5-sulfanylidene-1,6-diazatricyclo[6.2.2.0^{2,7}]dodec-2(7)-ene-4-carbonitrile
SMILES:
C1CN2CCC1C3=C2C(C(C(=S)N3)C#N)C4=C(C=C(C=C4)Cl)Cl
Tpsa:
39.06
Logp:
4.08458
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₈N₄O₃S
Molecular Weight: 346.40
Synonyms: None
SMILES: COC1=C(OC)C=C(C#N)C(N=C(N2CCOCC2)SCC#N)=C1
Tpsa: 90.87
Logp: 2.15196
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₈N₄O₃S
Molecular Weight:
346.40
Synonyms:
None
SMILES:
COC1=C(OC)C=C(C#N)C(N=C(N2CCOCC2)SCC#N)=C1
Tpsa:
90.87
Logp:
2.15196
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₂N₄O₅
Molecular Weight: 350.37
Synonyms: 5-Pyrimidinepropanoic acid, 2-[2,5-dihydro-4-(2-hydroxyethyl)-3-methyl-5-oxo-1H-pyrazol-1-yl]-1,6-dihydro-4-methyl-6-oxo-, ethyl ester
SMILES: CCOC(=O)CCC1=C(N=C(NC1=O)N2C(=O)C(=C(N2)C)CCO)C
Tpsa: 130.07
Logp: -0.10376
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₂N₄O₅
Molecular Weight:
350.37
Synonyms:
5-Pyrimidinepropanoic acid, 2-[2,5-dihydro-4-(2-hydroxyethyl)-3-methyl-5-oxo-1H-pyrazol-1-yl]-1,6-dihydro-4-methyl-6-oxo-, ethyl ester
SMILES:
CCOC(=O)CCC1=C(N=C(NC1=O)N2C(=O)C(=C(N2)C)CCO)C
Tpsa:
130.07
Logp:
-0.10376
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
7