4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclopentyl-3-methyl-5-oxo-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-3-carboxamide
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclopentyl-3-methyl-5-oxo-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-3-carboxamide
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclopentyl-3-methyl-5-oxo-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-3-carboxamide
Compound characteristics
| Compound ID: | C800-0620 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclopentyl-3-methyl-5-oxo-3,4,5,6-tetrahydro-2H-[1,4]thiazepino[6,7-b]indole-3-carboxamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C26 H27 N3 O4 S |
| Smiles: | CC1(CSc2c3ccccc3[nH]c2C(N1Cc1ccc2c(c1)OCO2)=O)C(NC1CCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6037 |
| logD: | 4.6037 |
| logSw: | -4.391 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.094 |
| InChI Key: | UJGQVCFCDISLDT-SANMLTNESA-N |