CS-0544092
3-Methyl-2-thioxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydro-5H-indeno[1,2-d]pyrimidin-5-one
Manufacturer: ChemScene
CAS Number: 685106-54-1
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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
C₂₁H₂₀N₂O₄S
Molecular Weight
396.46
Synonyms
None
SMILES
CN1C(C2=C(C3=CC=CC=C3C2=O)NC1=S)C4=CC(=C(C(=C4)OC)OC)OC
Tpsa
60.03
Logp
3.181
H Acceptors
5
H Donors
1
Rotatable Bonds
4
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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
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: C₂₁H₂₀N₂O₄S
Molecular Weight: 396.46
Synonyms: None
SMILES: CN1C(C2=C(C3=CC=CC=C3C2=O)NC1=S)C4=CC(=C(C(=C4)OC)OC)OC
Tpsa: 60.03
Logp: 3.181
H Acceptors: 5
H Donors: 1
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:
C₂₁H₂₀N₂O₄S
Molecular Weight:
396.46
Synonyms:
None
SMILES:
CN1C(C2=C(C3=CC=CC=C3C2=O)NC1=S)C4=CC(=C(C(=C4)OC)OC)OC
Tpsa:
60.03
Logp:
3.181
H Acceptors:
5
H Donors:
1
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: C₁₅H₉ClF₃N₃O₂
Molecular Weight: 355.70
Synonyms: 4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-2-METHYL-1,3,4-BENZOXADIAZEPIN-5(4H)-ONE
SMILES: CC1=NN(C(=O)C2=CC=CC=C2O1)C3=C(C=C(C=N3)C(F)(F)F)Cl
Tpsa: 54.79
Logp: 4.1264
H Acceptors: 4
H Donors: 0
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:
C₁₅H₉ClF₃N₃O₂
Molecular Weight:
355.70
Synonyms:
4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-2-METHYL-1,3,4-BENZOXADIAZEPIN-5(4H)-ONE
SMILES:
CC1=NN(C(=O)C2=CC=CC=C2O1)C3=C(C=C(C=N3)C(F)(F)F)Cl
Tpsa:
54.79
Logp:
4.1264
H Acceptors:
4
H Donors:
0
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: C₁₁H₁₄N₄O₃
Molecular Weight: 250.25
Synonyms: None
SMILES: CC1=CC(=O)NC(=N1)N2C(=O)C(=C(N2)C)CCO
Tpsa: 103.77
Logp: -0.59946
H Acceptors: 5
H Donors: 3
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:
C₁₁H₁₄N₄O₃
Molecular Weight:
250.25
Synonyms:
None
SMILES:
CC1=CC(=O)NC(=N1)N2C(=O)C(=C(N2)C)CCO
Tpsa:
103.77
Logp:
-0.59946
H Acceptors:
5
H Donors:
3
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: C₁₆H₁₈N₂O₂S₂
Molecular Weight: 334.46
Synonyms: N-[5-(2-methylpropyl)-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
SMILES: CC(C)CC1CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC=CS3
Tpsa: 59.06
Logp: 4.2481
H Acceptors: 5
H Donors: 1
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:
C₁₆H₁₈N₂O₂S₂
Molecular Weight:
334.46
Synonyms:
N-[5-(2-methylpropyl)-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
SMILES:
CC(C)CC1CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC=CS3
Tpsa:
59.06
Logp:
4.2481
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4