| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 29 | No |
Popular Name: 7-anilino-3-(4-bromophenyl)-5-morpholino-1,4-thiazepine-6-carbonitrile 7-anilino-3-(4-bromophenyl)-5-mo…
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CAS Number: 338401-14-2
| 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) | 5.66 | 10.96 | -6.53 | 1 | 5 | 0 | 61 | 467.392 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.66 | 11.27 | -30.98 | 2 | 5 | 1 | 62 | 468.4 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 242 - 244 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
