11-[4-(4-tert-butylbenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-2-methoxy-7-methyldibenzo[b,f][1,4]oxazepine
Chemical Structure Depiction of
11-[4-(4-tert-butylbenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-2-methoxy-7-methyldibenzo[b,f][1,4]oxazepine
11-[4-(4-tert-butylbenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-2-methoxy-7-methyldibenzo[b,f][1,4]oxazepine
Compound characteristics
| Compound ID: | V005-5654 |
| Compound Name: | 11-[4-(4-tert-butylbenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-2-methoxy-7-methyldibenzo[b,f][1,4]oxazepine |
| Molecular Weight: | 533.69 |
| Molecular Formula: | C30 H35 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1S(c1ccc(cc1)C(C)(C)C)(=O)=O)C1c2cc(ccc2Oc2cc(C)ccc2N=1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6225 |
| logD: | 4.9778 |
| logSw: | -5.7477 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.32 |
| InChI Key: | ZONHPNOBUCHICI-NRFANRHFSA-N |