10-methyl-7-(5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
10-methyl-7-(5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
10-methyl-7-(5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | G946-0030 |
| Compound Name: | 10-methyl-7-(5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 553.66 |
| Molecular Formula: | C30 H23 N3 O4 S2 |
| Smiles: | Cc1ccc(cc1)S(Cc1cccc(c1)c1nc(c2ccc3c(c2)Sc2ccccc2C(N3C)=O)no1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2189 |
| logD: | 6.2189 |
| logSw: | -5.5668 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.608 |
| InChI Key: | ATQOJGKPOHFSPB-UHFFFAOYSA-N |