N~3~-(4-methylbenzene-1-sulfonyl)-N-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(4-methylbenzene-1-sulfonyl)-N-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-beta-alaninamide
N~3~-(4-methylbenzene-1-sulfonyl)-N-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | G943-0332 |
| Compound Name: | N~3~-(4-methylbenzene-1-sulfonyl)-N-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-beta-alaninamide |
| Molecular Weight: | 509.65 |
| Molecular Formula: | C26 H27 N3 O4 S2 |
| Smiles: | CCCN1C(c2ccccc2Sc2cc(ccc12)NC(CCNS(c1ccc(C)cc1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4183 |
| logD: | 5.4182 |
| logSw: | -5.3028 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.4 |
| InChI Key: | SIFJJMROPSQRJK-UHFFFAOYSA-N |