8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-[(3-methoxyphenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-[(3-methoxyphenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-[(3-methoxyphenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | C380-0537 |
| Compound Name: | 8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-[(3-methoxyphenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C29 H28 N2 O5 S |
| Smiles: | COc1cccc(CN2C(c3ccccc3Sc3ccc(cc23)C(N2CCC3(CC2)OCCO3)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2932 |
| logD: | 4.2932 |
| logSw: | -4.3007 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.029 |
| InChI Key: | BRNNEYVFYNRKKV-UHFFFAOYSA-N |