4-(2,5-dimethyl-1H-pyrrol-1-yl)-N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)benzamide
Chemical Structure Depiction of
4-(2,5-dimethyl-1H-pyrrol-1-yl)-N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)benzamide
4-(2,5-dimethyl-1H-pyrrol-1-yl)-N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)benzamide
Compound characteristics
| Compound ID: | G943-0126 |
| Compound Name: | 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)benzamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C27 H23 N3 O2 S |
| Smiles: | Cc1ccc(C)n1c1ccc(cc1)C(Nc1ccc2c(c1)Sc1ccccc1C(N2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9192 |
| logD: | 4.9192 |
| logSw: | -4.5418 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.418 |
| InChI Key: | YNTZYDMUYYRZQH-UHFFFAOYSA-N |