N-[4-(dimethylamino)phenyl]-2-[11-oxo-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
Chemical Structure Depiction of
N-[4-(dimethylamino)phenyl]-2-[11-oxo-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
N-[4-(dimethylamino)phenyl]-2-[11-oxo-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
Compound characteristics
| Compound ID: | K788-3854 |
| Compound Name: | N-[4-(dimethylamino)phenyl]-2-[11-oxo-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide |
| Molecular Weight: | 500.62 |
| Molecular Formula: | C28 H28 N4 O3 S |
| Smiles: | CN(C)c1ccc(cc1)NC(CN1C(c2ccccc2Sc2ccc(cc12)C(N1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.384 |
| logD: | 4.3754 |
| logSw: | -4.1991 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.369 |
| InChI Key: | KYDZLBFHMXLHEN-UHFFFAOYSA-N |