3-methyl-N-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
3-methyl-N-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl]thiophene-2-carboxamide
3-methyl-N-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | P895-0293 |
| Compound Name: | 3-methyl-N-[5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl]thiophene-2-carboxamide |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C21 H19 N3 O2 S2 |
| Smiles: | CC(C)N1C(c2cccnc2Sc2cc(ccc12)NC(c1c(C)ccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4424 |
| logD: | 4.4424 |
| logSw: | -4.3361 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.555 |
| InChI Key: | XTCDQGAUGZRQQO-UHFFFAOYSA-N |