ethyl 4-[4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamido]benzoate
Chemical Structure Depiction of
ethyl 4-[4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamido]benzoate
ethyl 4-[4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | G290-1127 |
| Compound Name: | ethyl 4-[4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamido]benzoate |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C25 H23 N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CCCN1C(c2cccnc2Sc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1104 |
| logD: | 4.1103 |
| logSw: | -4.0544 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.335 |
| InChI Key: | YMGMMNKMWPQBEH-UHFFFAOYSA-N |