N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-4-[(pyridin-3-yl)methyl]-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-4-[(pyridin-3-yl)methyl]-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-4-[(pyridin-3-yl)methyl]-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0340 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-4-[(pyridin-3-yl)methyl]-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C27 H26 N4 O3 S |
| Smiles: | Cn1c2c(C(C(NCc3ccccc3OC)=O)N(Cc3cccnc3)C(CS2)=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9826 |
| logD: | 2.9824 |
| logSw: | -3.0492 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.749 |
| InChI Key: | RLBBVCAPACTZQA-VWLOTQADSA-N |