6-(propan-2-yl)-9-(thiomorpholine-4-carbonyl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Chemical Structure Depiction of
6-(propan-2-yl)-9-(thiomorpholine-4-carbonyl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
6-(propan-2-yl)-9-(thiomorpholine-4-carbonyl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Compound characteristics
| Compound ID: | P617-0596 |
| Compound Name: | 6-(propan-2-yl)-9-(thiomorpholine-4-carbonyl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one |
| Molecular Weight: | 399.53 |
| Molecular Formula: | C20 H21 N3 O2 S2 |
| Smiles: | CC(C)N1C(c2cccnc2Sc2cc(ccc12)C(N1CCSCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6158 |
| logD: | 2.6158 |
| logSw: | -3.2205 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.094 |
| InChI Key: | SLEATCBPNCLNAP-UHFFFAOYSA-N |