기본 정보
- CAS
72313-43-0- 표준 SMILES
CCOC(=O)c1ccc(CCCC2SCC(=O)N2CCC2(O)CCCCC2)cc1- InChIKey
ZIDKVEIDTRJRDJ-UHFFFAOYSA-N- 분자식
- C23H33NO4S
- 평균 분자량
- 419.6 g/mol
- 단동위원소 질량
- 419.21302954
이름 및 식별자
- 우선 이름
- Ethyl 4-[3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl]benzoate
- IUPAC
- ethyl 4-[3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoate
이름 및 동의어
72313-43-0Ethyl 4-[3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl]benzoateethyl 4-{3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl}benzoateSCHEMBL11302664ZIDKVEIDTRJRDJ-UHFFFAOYSA-NDTXSID901130899Ethyl 4-(3-{3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl}propyl)benzoateethyl 4-{3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl}-benzoateBenzoic acid, 4-[3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl]-, ethyl esterBenzoicacid,4-[3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl]-,ethylester
데이터베이스 식별자
- CAS
72313-43-0- PubChem CID
- 12897184
- DTXSID
DTXSID901130899
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 92.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 541
관련 반응
3건
화합물 노트
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