2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(2-methoxyphenyl)amino]ethyl 4-butoxybenzoate
Chemical Structure Depiction of
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(2-methoxyphenyl)amino]ethyl 4-butoxybenzoate
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(2-methoxyphenyl)amino]ethyl 4-butoxybenzoate
Compound characteristics
| Compound ID: | 4418-0027 |
| Compound Name: | 2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(2-methoxyphenyl)amino]ethyl 4-butoxybenzoate |
| Molecular Weight: | 508.59 |
| Molecular Formula: | C27 H28 N2 O6 S |
| Smiles: | CCCCOc1ccc(cc1)C(=O)OCCN(C1c2ccccc2S(N=1)(=O)=O)c1ccccc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.6417 |
| logD: | 5.6417 |
| logSw: | -5.3696 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.606 |
| InChI Key: | IVJHJVIERVCMMQ-UHFFFAOYSA-N |