9-(4-butylpiperazine-1-carbonyl)-6-(propan-2-yl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Chemical Structure Depiction of
9-(4-butylpiperazine-1-carbonyl)-6-(propan-2-yl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
9-(4-butylpiperazine-1-carbonyl)-6-(propan-2-yl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Compound characteristics
| Compound ID: | P617-0612 |
| Compound Name: | 9-(4-butylpiperazine-1-carbonyl)-6-(propan-2-yl)pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one |
| Molecular Weight: | 438.59 |
| Molecular Formula: | C24 H30 N4 O2 S |
| Smiles: | CCCCN1CCN(CC1)C(c1ccc2c(c1)Sc1c(cccn1)C(N2C(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3385 |
| logD: | 3.1716 |
| logSw: | -3.6006 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.884 |
| InChI Key: | RLZAWTGLSSYWLG-UHFFFAOYSA-N |