N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-(thiophen-2-yl)prop-2-enamide
Chemical Structure Depiction of
N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-(thiophen-2-yl)prop-2-enamide
N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-(thiophen-2-yl)prop-2-enamide
Compound characteristics
| Compound ID: | G943-0139 |
| Compound Name: | N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3-(thiophen-2-yl)prop-2-enamide |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C21 H16 N2 O2 S2 |
| Smiles: | CN1C(c2ccccc2Sc2cc(ccc12)NC(/C=C/c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.232 |
| logD: | 4.232 |
| logSw: | -4.3596 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.334 |
| InChI Key: | MDMLJGZVDHWJNE-UHFFFAOYSA-N |