AI16378
1251017-61-4 | 7,8-Dihydro-4h,6h-1,5,8a-triaza-azulene-5,7-dicarboxylic acid 5-tert-butyl ester
Manufacturer: A2B Chem
The price for this product is unavailable. Please request a quote
CatalogNumber
AI16378
ChemicalName
7,8-Dihydro-4h,6h-1,5,8a-triaza-azulene-5,7-dicarboxylic acid 5-tert-butyl ester
CasNumber
1251017-61-4
MolecularFormula
C13H19N3O4
MolecularWeight
281.3077
MdlNumber
MFCD18792193
Smiles
OC(=O)C1CN(Cc2n(C1)ncc2)C(=O)OC(C)(C)C
Complexity
394
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.2
Compare Similar Items
Show Difference
CatalogNumber: AI16378
ChemicalName: 7,8-Dihydro-4h,6h-1,5,8a-triaza-azulene-5,7-dicarboxylic acid 5-tert-butyl ester
CasNumber: 1251017-61-4
MolecularFormula: C13H19N3O4
MolecularWeight: 281.3077
MdlNumber: MFCD18792193
Smiles: OC(=O)C1CN(Cc2n(C1)ncc2)C(=O)OC(C)(C)C
Complexity: 394
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.2
CatalogNumber:
AI16378
ChemicalName:
7,8-Dihydro-4h,6h-1,5,8a-triaza-azulene-5,7-dicarboxylic acid 5-tert-butyl ester
CasNumber:
1251017-61-4
MolecularFormula:
C13H19N3O4
MolecularWeight:
281.3077
MdlNumber:
MFCD18792193
Smiles:
OC(=O)C1CN(Cc2n(C1)ncc2)C(=O)OC(C)(C)C
Complexity:
394
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1CN(Cc2n(C1)ccc2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1CN(Cc2n(C1)ccc2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC1N(CCc2c1n(C)cn2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC1N(CCc2c1n(C)cn2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI16381
ChemicalName: tert-Butyl 2-(6-bromo-[1,2,3]triazolo[1,5-a]pyridin-3-yl)pyrrolidine-1-carboxylate
CasNumber: 1251017-79-4
MolecularFormula: C15H19BrN4O2
MolecularWeight: 367.241
MdlNumber: MFCD14581131
Smiles: Brc1ccc2n(c1)nnc2C1CCCN1C(=O)OC(C)(C)C
Complexity: 428
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.5
CatalogNumber:
AI16381
ChemicalName:
tert-Butyl 2-(6-bromo-[1,2,3]triazolo[1,5-a]pyridin-3-yl)pyrrolidine-1-carboxylate
CasNumber:
1251017-79-4
MolecularFormula:
C15H19BrN4O2
MolecularWeight:
367.241
MdlNumber:
MFCD14581131
Smiles:
Brc1ccc2n(c1)nnc2C1CCCN1C(=O)OC(C)(C)C
Complexity:
428
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.5