methyl 4-[(5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonyl)amino]benzoate
methyl 4-[(5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | E975-1424 |
| Compound Name: | methyl 4-[(5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonyl)amino]benzoate |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | COC(c1ccc(cc1)NS(c1ccc2c(c1)c1CCCCCc1[nH]2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2657 |
| logD: | 3.6229 |
| logSw: | -4.3699 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.163 |
| InChI Key: | TUNRSMOJVCXESH-UHFFFAOYSA-N |