9-(4-butylpiperazine-1-carbonyl)-6-ethylpyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Chemical Structure Depiction of
9-(4-butylpiperazine-1-carbonyl)-6-ethylpyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
9-(4-butylpiperazine-1-carbonyl)-6-ethylpyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Compound characteristics
| Compound ID: | P617-0480 |
| Compound Name: | 9-(4-butylpiperazine-1-carbonyl)-6-ethylpyrido[2,3-b][1,5]benzothiazepin-5(6H)-one |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C23 H28 N4 O2 S |
| Smiles: | CCCCN1CCN(CC1)C(c1ccc2c(c1)Sc1c(cccn1)C(N2CC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0927 |
| logD: | 2.9257 |
| logSw: | -3.4111 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.888 |
| InChI Key: | ORVFXKSXTZWRAB-UHFFFAOYSA-N |