AI16249
1251001-31-6 | 4,5,7,8-TEtrahydro-1,2,3A,6-Tetraaza-Azulene-3,6-Dicarboxylic Acid6-Tert-Butyl Ester3-Ethyl Ester
Manufacturer: A2B Chem
CAS Number: 1251001-31-6
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Catalog Number
AI16249
Chemical Name
4,5,7,8-TEtrahydro-1,2,3A,6-Tetraaza-Azulene-3,6-Dicarboxylic Acid6-Tert-Butyl Ester3-Ethyl Ester
Cas Number
1251001-31-6
Molecular Formula
C14H22N4O4
Molecular Weight
310.3489
Mdl Number
MFCD17017736
Smiles
CCOC(=O)c1nnc2n1CCN(CC2)C(=O)OC(C)(C)C
Complexity
424
Covalently-Bonded Unit Count
1
Heavy Atom Count
22
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
5
Xlogp3
0.9
Other Options
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Catalog Number: AI16249
Chemical Name: 4,5,7,8-TEtrahydro-1,2,3A,6-Tetraaza-Azulene-3,6-Dicarboxylic Acid6-Tert-Butyl Ester3-Ethyl Ester
Cas Number: 1251001-31-6
Molecular Formula: C14H22N4O4
Molecular Weight: 310.3489
Mdl Number: MFCD17017736
Smiles: CCOC(=O)c1nnc2n1CCN(CC2)C(=O)OC(C)(C)C
Complexity: 424
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 22
Hydrogen Bond Acceptor Count: 6
Rotatable Bond Count: 5
Xlogp3: 0.9
Catalog Number:
AI16249
Chemical Name:
4,5,7,8-TEtrahydro-1,2,3A,6-Tetraaza-Azulene-3,6-Dicarboxylic Acid6-Tert-Butyl Ester3-Ethyl Ester
Cas Number:
1251001-31-6
Molecular Formula:
C14H22N4O4
Molecular Weight:
310.3489
Mdl Number:
MFCD17017736
Smiles:
CCOC(=O)c1nnc2n1CCN(CC2)C(=O)OC(C)(C)C
Complexity:
424
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Xlogp3:
0.9
Catalog Number: AI16250
Chemical Name: (3Ar,5r,7as)-rel-5-amino-2-boc-2h-isoindole
Cas Number: 1251001-40-7
Molecular Formula: C13H24N2O2
Molecular Weight: 240.3419
Mdl Number: MFCD17016462
Smiles: N[C@@H]1CC[C@H]2[C@@H](C1)CN(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-Bonded Unit Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Rotatable Bond Count: __
Xlogp3: __
Catalog Number:
AI16250
Chemical Name:
(3Ar,5r,7as)-rel-5-amino-2-boc-2h-isoindole
Cas Number:
1251001-40-7
Molecular Formula:
C13H24N2O2
Molecular Weight:
240.3419
Mdl Number:
MFCD17016462
Smiles:
N[C@@H]1CC[C@H]2[C@@H](C1)CN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-Bonded Unit Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Rotatable Bond Count:
__
Xlogp3:
__
Catalog Number: __
Chemical Name: __
Cas Number: __
Molecular Formula: __
Molecular Weight: __
Mdl Number: __
Smiles: OCC1N(CCc2c1n(cn2)C(C)C)C(=O)OC(C)(C)C
Complexity: 381
Covalently-Bonded Unit Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Rotatable Bond Count: __
Xlogp3: 0.9
Catalog Number:
__
Chemical Name:
__
Cas Number:
__
Molecular Formula:
__
Molecular Weight:
__
Mdl Number:
__
Smiles:
OCC1N(CCc2c1n(cn2)C(C)C)C(=O)OC(C)(C)C
Complexity:
381
Covalently-Bonded Unit Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Rotatable Bond Count:
__
Xlogp3:
0.9
Catalog Number: AI16252
Chemical Name: 7-Aminomethyl-7,8-dihydro-4h,6h-1,5,8a-triaza-azulene-5-carboxylic acid tert-butyl ester
Cas Number: 1251001-46-3
Molecular Formula: C13H22N4O2
Molecular Weight: 266.3394
Mdl Number: MFCD18792195
Smiles: NCC1CN(Cc2n(C1)ncc2)C(=O)OC(C)(C)C
Complexity: __
Covalently-Bonded Unit Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Rotatable Bond Count: __
Xlogp3: __
Catalog Number:
AI16252
Chemical Name:
7-Aminomethyl-7,8-dihydro-4h,6h-1,5,8a-triaza-azulene-5-carboxylic acid tert-butyl ester
Cas Number:
1251001-46-3
Molecular Formula:
C13H22N4O2
Molecular Weight:
266.3394
Mdl Number:
MFCD18792195
Smiles:
NCC1CN(Cc2n(C1)ncc2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-Bonded Unit Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Rotatable Bond Count:
__
Xlogp3:
__