N-{4-[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{4-[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl}furan-2-carboxamide
N-{4-[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | G946-0305 |
| Compound Name: | N-{4-[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl}furan-2-carboxamide |
| Molecular Weight: | 522.58 |
| Molecular Formula: | C29 H22 N4 O4 S |
| Smiles: | CCCN1C(c2ccccc2Sc2cc(ccc12)c1nc(c2ccc(cc2)NC(c2ccco2)=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7404 |
| logD: | 6.7404 |
| logSw: | -5.6041 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.726 |
| InChI Key: | HJXCOCRYHMVNIM-UHFFFAOYSA-N |