11-ethyl-2-methyl-N-[3-(pyrrolidin-1-yl)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
11-ethyl-2-methyl-N-[3-(pyrrolidin-1-yl)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
11-ethyl-2-methyl-N-[3-(pyrrolidin-1-yl)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-3718 |
| Compound Name: | 11-ethyl-2-methyl-N-[3-(pyrrolidin-1-yl)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 407.58 |
| Molecular Formula: | C24 H29 N3 O S |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCCCN1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5098 |
| logD: | 1.4773 |
| logSw: | -4.1307 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.834 |
| InChI Key: | NWVPGGSROSCBFT-UHFFFAOYSA-N |