CS-0802591
8-(Tert-butyl) 1-methyl 3-(3,4-difluorophenyl)-7-methyl-6,7-dihydro-5H-imidazo[1,5-a][1,4]diazepine-1,8(9H)-dicarboxylate
Manufacturer: ChemScene
CAS Number: 1229008-04-1
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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
C₂₁H₂₅F₂N₃O₄
Molecular Weight
421.44
Synonyms
None
SMILES
COC(=O)C1=C2N(CCC(C)N(C(=O)OC(C)(C)C)C2)C(C3=CC(F)=C(F)C=C3)=N1
Tpsa
73.66
Logp
4.1442
H Acceptors
6
H Donors
0
Rotatable Bonds
2
Related Products
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: C₂₁H₂₅F₂N₃O₄
Molecular Weight: 421.44
Synonyms: None
SMILES: COC(=O)C1=C2N(CCC(C)N(C(=O)OC(C)(C)C)C2)C(C3=CC(F)=C(F)C=C3)=N1
Tpsa: 73.66
Logp: 4.1442
H Acceptors: 6
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:
C₂₁H₂₅F₂N₃O₄
Molecular Weight:
421.44
Synonyms:
None
SMILES:
COC(=O)C1=C2N(CCC(C)N(C(=O)OC(C)(C)C)C2)C(C3=CC(F)=C(F)C=C3)=N1
Tpsa:
73.66
Logp:
4.1442
H Acceptors:
6
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: C₂₀H₂₃F₂N₃O₄
Molecular Weight: 407.41
Synonyms: None
SMILES: FC1=C(F)C=C(C=C1)C2N3C(CN(C(=O)OC(C)(C)C)C(C)CC3)=C(C(O)=O)N=2
Tpsa: 84.66
Logp: 4.0558
H Acceptors: 5
H Donors: 1
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:
C₂₀H₂₃F₂N₃O₄
Molecular Weight:
407.41
Synonyms:
None
SMILES:
FC1=C(F)C=C(C=C1)C2N3C(CN(C(=O)OC(C)(C)C)C(C)CC3)=C(C(O)=O)N=2
Tpsa:
84.66
Logp:
4.0558
H Acceptors:
5
H Donors:
1
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: C₁₈H₁₉F₂N₃O₂
Molecular Weight: 347.36
Synonyms: None
SMILES: CCC(=O)NCC(=O)N1C(C2=C(F)C=C(F)C=C2)C3N(C=CC=3)CC1
Tpsa: 54.34
Logp: 2.2241
H Acceptors: 3
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:
C₁₈H₁₉F₂N₃O₂
Molecular Weight:
347.36
Synonyms:
None
SMILES:
CCC(=O)NCC(=O)N1C(C2=C(F)C=C(F)C=C2)C3N(C=CC=3)CC1
Tpsa:
54.34
Logp:
2.2241
H Acceptors:
3
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: C₂₁H₂₅F₂N₃O₂
Molecular Weight: 389.44
Synonyms: None
SMILES: CC(C)CNC(=O)CCC(=O)N1C(C2=C(F)C=C(F)C=C2)C3N(C=CC=3)CC1
Tpsa: 54.34
Logp: 3.2503
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₅F₂N₃O₂
Molecular Weight:
389.44
Synonyms:
None
SMILES:
CC(C)CNC(=O)CCC(=O)N1C(C2=C(F)C=C(F)C=C2)C3N(C=CC=3)CC1
Tpsa:
54.34
Logp:
3.2503
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6