10-cyclopentyl-7-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
10-cyclopentyl-7-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
10-cyclopentyl-7-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | G946-0726 |
| Compound Name: | 10-cyclopentyl-7-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 532.66 |
| Molecular Formula: | C32 H28 N4 O2 S |
| Smiles: | Cc1ccc(C)n1c1ccc(cc1)c1nc(c2ccc3c(c2)Sc2ccccc2C(N3C2CCCC2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 7.5401 |
| logD: | 7.5401 |
| logSw: | -5.6285 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.283 |
| InChI Key: | UYBILCUCLMJPJY-UHFFFAOYSA-N |