N-(2-{[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
N-(2-{[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
Compound characteristics
| Compound ID: | 8008-5829 |
| Compound Name: | N-(2-{[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide |
| Molecular Weight: | 544.61 |
| Molecular Formula: | C27 H20 N4 O5 S2 |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)NC(CSc1nc2ccc(cc2s1)NC(c1cccc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2359 |
| logD: | 6.212 |
| logSw: | -6.6428 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.944 |
| InChI Key: | ASHYAYNWPCHHIR-UHFFFAOYSA-N |