AC1O5FTX
(Z)-but-2-enedioic acid;7-chloro-5-phenyl-1-(2-pyrrolidin-1-ylethyl)-3H-1,4-benzodiazepin-2-one
Also Known As: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1)|2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-7-CHLORO-5-PHENYL-1-(2-(1-PYRROLIDINYL)E|(Z)-but-2-enedioic acid; 7-chloro-5-phenyl-1-(2-pyrrolidin-1-ylethyl)-3H-1,4-benzodiazepin-2-one|(Z)-but-2-enedioic acid;7-chloro-5-phenyl-1-(2-pyrrolidin-1-ylethyl)-3H-1,4-benzodiazepin-2-one
| Molecular Formula | C25H26ClN3O5 |
|---|---|
| Molecular Weight | 483.1561 g/mol |
| LogP | 3.3316 |
| Topological Polar Surface Area | 110.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.1561 |
| Monoisotopic Mass | 483.1561 |
| Heavy Atoms | 34 |
| Complexity | 1078.9849 |
Chemical Identifiers
| CAS Number | 1061-06-9 |
|---|---|
| SMILES | C1CCN(C1)CCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4.C(=C\C(=O)O)\C(=O)O |
Product Overview
AC1O5FTX (CAS 1061-06-9), with molecular formula C25H26ClN3O5 and molecular weight 483.1561 g/mol. IUPAC: (Z)-but-2-enedioic acid;7-chloro-5-phenyl-1-(2-pyrrolidin-1-ylethyl)-3H-1,4-benzodiazepin-2-one.
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