10-[(2,5-dimethylphenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
10-[(2,5-dimethylphenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-0954 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 530.64 |
| Molecular Formula: | C30 H30 N2 O5 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(N2CCC3(CC2)OCCO3)=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5448 |
| logD: | 3.5448 |
| logSw: | -3.7411 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.87 |
| InChI Key: | QWFVOMGLBBQEOH-UHFFFAOYSA-N |