(2-methyl-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(2-methyl-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone
(2-methyl-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | C304-1401 |
| Compound Name: | (2-methyl-11-propyldibenzo[b,f][1,4]thiazepin-8-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 500.62 |
| Molecular Formula: | C28 H28 N4 O3 S |
| Smiles: | CCCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1389 |
| logD: | 6.1378 |
| logSw: | -5.3587 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.521 |
| InChI Key: | KWIPYWZKKSRDQI-UHFFFAOYSA-N |