AE62660
1290734-17-6 | 2-(4-Cyclopropylpiperazine-1-sulfonyl)aniline
Manufacturer: A2B Chem
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CatalogNumber
AE62660
ChemicalName
2-(4-Cyclopropylpiperazine-1-sulfonyl)aniline
CasNumber
1290734-17-6
MolecularFormula
C13H19N3O2S
MolecularWeight
281.3739
MdlNumber
MFCD16369332
Smiles
Nc1ccccc1S(=O)(=O)N1CCN(CC1)C1CC1
Complexity
408
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AE62660
ChemicalName: 2-(4-Cyclopropylpiperazine-1-sulfonyl)aniline
CasNumber: 1290734-17-6
MolecularFormula: C13H19N3O2S
MolecularWeight: 281.3739
MdlNumber: MFCD16369332
Smiles: Nc1ccccc1S(=O)(=O)N1CCN(CC1)C1CC1
Complexity: 408
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AE62660
ChemicalName:
2-(4-Cyclopropylpiperazine-1-sulfonyl)aniline
CasNumber:
1290734-17-6
MolecularFormula:
C13H19N3O2S
MolecularWeight:
281.3739
MdlNumber:
MFCD16369332
Smiles:
Nc1ccccc1S(=O)(=O)N1CCN(CC1)C1CC1
Complexity:
408
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: AE62661
ChemicalName: N-Cyclopropyl L-Z-Valinamide
CasNumber: 1393445-24-3
MolecularFormula: C16H22N2O3
MolecularWeight: 290.3575
MdlNumber: MFCD22383737
Smiles: CC(C(C(=O)NC1CC1)NC(=O)OCc1ccccc1)C
Complexity: 361
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 2.7
CatalogNumber:
AE62661
ChemicalName:
N-Cyclopropyl L-Z-Valinamide
CasNumber:
1393445-24-3
MolecularFormula:
C16H22N2O3
MolecularWeight:
290.3575
MdlNumber:
MFCD22383737
Smiles:
CC(C(C(=O)NC1CC1)NC(=O)OCc1ccccc1)C
Complexity:
361
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
2.7
CatalogNumber: AE62662
ChemicalName: 4-(Thiophen-2-yl)nicotinic acid
CasNumber: 1261970-02-8
MolecularFormula: C10H7NO2S
MolecularWeight: 205.2331
MdlNumber: MFCD18323294
Smiles: OC(=O)c1cnccc1c1cccs1
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AE62662
ChemicalName:
4-(Thiophen-2-yl)nicotinic acid
CasNumber:
1261970-02-8
MolecularFormula:
C10H7NO2S
MolecularWeight:
205.2331
MdlNumber:
MFCD18323294
Smiles:
OC(=O)c1cnccc1c1cccs1
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: AE62663
ChemicalName: 2,4-Diaminoisoindole-1,3-dione
CasNumber: 121433-36-1
MolecularFormula: C8H7N3O2
MolecularWeight: 177.1601
MdlNumber: MFCD20695051
Smiles: Nc1cccc2c1C(=O)N(C2=O)N
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AE62663
ChemicalName:
2,4-Diaminoisoindole-1,3-dione
CasNumber:
121433-36-1
MolecularFormula:
C8H7N3O2
MolecularWeight:
177.1601
MdlNumber:
MFCD20695051
Smiles:
Nc1cccc2c1C(=O)N(C2=O)N
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
__