methyl [1-(1,3-benzothiazol-2-yl)-4-(1-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Chemical Structure Depiction of
methyl [1-(1,3-benzothiazol-2-yl)-4-(1-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
methyl [1-(1,3-benzothiazol-2-yl)-4-(1-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Compound characteristics
| Compound ID: | 8017-7379 |
| Compound Name: | methyl [1-(1,3-benzothiazol-2-yl)-4-(1-{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate |
| Molecular Weight: | 503.58 |
| Molecular Formula: | C26 H25 N5 O4 S |
| Smiles: | C/C(=C1/C(CC(=O)OC)=NN(C1=O)c1nc2ccccc2s1)NCCc1c[nH]c2ccc(cc12)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9504 |
| logD: | 3.9493 |
| logSw: | -4.2449 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.231 |
| InChI Key: | NZXPVWLSLOPFPN-UHFFFAOYSA-N |