In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2005 | 24 | Yes |
23092-17-3; D00338; Halazepam (USAN/INN); Paxipam (TN)
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-
2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl-1-(2,2,2-trifluoroethyl)-
5-24-04-00303 (Beilstein Handbook Reference)
7-Chloro-1,3-dihydro-5-phenyl-1-(2,2,2-trifluoroethyl)-2H-1,4-benzodiazepin-2-one
7-Chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one
7=Chlor-5-phenyl-1-(2,2,2-trifluorethyl)-1H-1,4-benzodiazepin-2(3H)-on
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.66 | 0.97 | -10.08 | 0 | 3 | 0 | 32 | 352.743 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 1.70e-03 g/l | DrugBank-Street Drugs |