{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(11-propyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(11-propyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(11-propyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
Compound characteristics
| Compound ID: | C304-4779 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(11-propyldibenzo[b,f][1,4]thiazepin-8-yl)methanone |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C29 H29 N3 O3 S |
| Smiles: | CCCC1c2ccccc2Sc2ccc(cc2N=1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0595 |
| logD: | 4.8679 |
| logSw: | -4.4903 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.535 |
| InChI Key: | ADHYWHLBXWIXFY-UHFFFAOYSA-N |