N-{1-[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{1-[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methylbenzene-1-sulfonamide
N-{1-[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | G946-0473 |
| Compound Name: | N-{1-[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 532.64 |
| Molecular Formula: | C27 H24 N4 O4 S2 |
| Smiles: | CC(c1nc(c2ccc3c(c2)Sc2ccccc2C(N3C2CC2)=O)no1)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3287 |
| logD: | 6.2426 |
| logSw: | -5.4926 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.765 |
| InChI Key: | AQXNGOSCBVRLTH-KRWDZBQOSA-N |