N-{3-[bis(2-methylpropyl)amino]propyl}-10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[bis(2-methylpropyl)amino]propyl}-10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[bis(2-methylpropyl)amino]propyl}-10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-0646 |
| Compound Name: | N-{3-[bis(2-methylpropyl)amino]propyl}-10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 575.77 |
| Molecular Formula: | C33 H41 N3 O4 S |
| Smiles: | CC(C)CN(CCCNC(c1ccc2c(c1)N(Cc1cccc(C)c1)C(c1ccccc1S2(=O)=O)=O)=O)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.8554 |
| logD: | 3.06 |
| logSw: | -5.3237 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.869 |
| InChI Key: | WWHUKFHSIJCLCC-UHFFFAOYSA-N |