N-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-(trifluoromethyl)benzamide
N-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | P895-0057 |
| Compound Name: | N-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-4-(trifluoromethyl)benzamide |
| Molecular Weight: | 429.42 |
| Molecular Formula: | C21 H14 F3 N3 O2 S |
| Smiles: | CN1C(c2cccnc2Sc2cc(ccc12)NC(c1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9939 |
| logD: | 3.9938 |
| logSw: | -4.3164 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.582 |
| InChI Key: | KEOKBXSPQMFZFV-UHFFFAOYSA-N |