10-cyclopentyl-7-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
10-cyclopentyl-7-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
10-cyclopentyl-7-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | G946-0719 |
| Compound Name: | 10-cyclopentyl-7-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 498.56 |
| Molecular Formula: | C27 H22 N4 O4 S |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)c1nc(c2ccc3c(c2)Sc2ccccc2C(N3C2CCCC2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 7.05 |
| logD: | 7.05 |
| logSw: | -5.6213 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.475 |
| InChI Key: | ZEHOVFMFPGDAOR-UHFFFAOYSA-N |