4-bromo-N-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
Chemical Structure Depiction of
4-bromo-N-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
4-bromo-N-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
Compound characteristics
| Compound ID: | P895-0002 |
| Compound Name: | 4-bromo-N-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide |
| Molecular Weight: | 440.32 |
| Molecular Formula: | C20 H14 Br N3 O2 S |
| Smiles: | CN1C(c2cccnc2Sc2cc(ccc12)NC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.955 |
| logD: | 3.9548 |
| logSw: | -4.113 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.582 |
| InChI Key: | IWDOHQIKAGPXSC-UHFFFAOYSA-N |