4-[(furan-2-yl)methyl]-10-methyl-N-(3-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
4-[(furan-2-yl)methyl]-10-methyl-N-(3-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
4-[(furan-2-yl)methyl]-10-methyl-N-(3-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0123 |
| Compound Name: | 4-[(furan-2-yl)methyl]-10-methyl-N-(3-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C23 H27 N3 O3 S |
| Smiles: | CC(C)CCNC(C1c2c3ccccc3n(C)c2SCC(N1Cc1ccco1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9099 |
| logD: | 3.9099 |
| logSw: | -3.8841 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.463 |
| InChI Key: | QALGIPBWJNOMTJ-NRFANRHFSA-N |