1-(3,4-dimethylphenyl)-5-oxo-N-[11-oxo-10-(propan-2-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-5-oxo-N-[11-oxo-10-(propan-2-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]pyrrolidine-3-carboxamide
1-(3,4-dimethylphenyl)-5-oxo-N-[11-oxo-10-(propan-2-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | G943-0781 |
| Compound Name: | 1-(3,4-dimethylphenyl)-5-oxo-N-[11-oxo-10-(propan-2-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C29 H29 N3 O3 S |
| Smiles: | CC(C)N1C(c2ccccc2Sc2cc(ccc12)NC(C1CC(N(C1)c1ccc(C)c(C)c1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5582 |
| logD: | 5.5582 |
| logSw: | -5.3229 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.234 |
| InChI Key: | XOBWOYGZHNOSNH-FQEVSTJZSA-N |