N-{[3-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
Chemical Structure Depiction of
N-{[3-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
N-{[3-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
Compound characteristics
| Compound ID: | G946-0638 |
| Compound Name: | N-{[3-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide |
| Molecular Weight: | 532.64 |
| Molecular Formula: | C27 H24 N4 O4 S2 |
| Smiles: | C1CCC(C1)N1C(c2ccccc2Sc2cc(ccc12)c1nc(CNS(c2ccccc2)(=O)=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7459 |
| logD: | 5.6739 |
| logSw: | -5.8822 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.09 |
| InChI Key: | PWYQVKNJQLQSMN-UHFFFAOYSA-N |