4-(2H-1,3-benzodioxol-5-yl)-N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
4-(2H-1,3-benzodioxol-5-yl)-N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0377 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 515.59 |
| Molecular Formula: | C28 H25 N3 O5 S |
| Smiles: | Cn1c2c(C(C(NCc3ccccc3OC)=O)N(C(CS2)=O)c2ccc3c(c2)OCO3)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1863 |
| logD: | 4.1863 |
| logSw: | -4.3839 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.735 |
| InChI Key: | HTTICSYUGGWQRU-SANMLTNESA-N |