1-{4-[4-(5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[4-(5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one
1-{4-[4-(5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | E975-1358 |
| Compound Name: | 1-{4-[4-(5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C25 H29 N3 O3 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)S(c1ccc2c(c1)c1CCCCCc1[nH]2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9773 |
| logD: | 3.9773 |
| logSw: | -4.1042 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.138 |
| InChI Key: | JOANTGDEJPLNFK-UHFFFAOYSA-N |