2-[4-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 3-methylbenzoate
Chemical Structure Depiction of
2-[4-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 3-methylbenzoate
2-[4-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 3-methylbenzoate
Compound characteristics
| Compound ID: | 5941-1317 |
| Compound Name: | 2-[4-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 3-methylbenzoate |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | Cc1cccc(c1)C(=O)OCCN1CCN(CC1)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7969 |
| logD: | 2.795 |
| logSw: | -3.3253 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.697 |
| InChI Key: | NTZOXYRRZLERRF-UHFFFAOYSA-N |