6-ethyl-9-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Chemical Structure Depiction of
6-ethyl-9-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
6-ethyl-9-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Compound characteristics
| Compound ID: | P617-0479 |
| Compound Name: | 6-ethyl-9-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]pyrido[2,3-b][1,5]benzothiazepin-5(6H)-one |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C22 H24 N4 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)C(N1CCN(CC1)CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3646 |
| logD: | 2.3236 |
| logSw: | -2.8369 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.888 |
| InChI Key: | HCUJXDHESSCZNU-UHFFFAOYSA-N |