N-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}thiophene-2-carboxamide
N-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | G946-0335 |
| Compound Name: | N-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}thiophene-2-carboxamide |
| Molecular Weight: | 476.57 |
| Molecular Formula: | C24 H20 N4 O3 S2 |
| Smiles: | CCCN1C(c2ccccc2Sc2cc(ccc12)c1nc(CNC(c2cccs2)=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6428 |
| logD: | 5.6428 |
| logSw: | -5.4085 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.425 |
| InChI Key: | ROKIDCHQEPQAML-UHFFFAOYSA-N |