Ethyl 2-[(3-cyano-4,6-dimethyl-5-phenacylpyridin-2-yl)sulfanylmethyl]-5-hydroxy-1-benzofuran-3-carboxylate
기본 정보
- CAS
311765-22-7- 표준 SMILES
CCOC(=O)c1c(CSc2nc(C)c(CC(=O)c3ccccc3)c(C)c2C#N)oc2ccc(O)cc12- InChIKey
UMPVDKLBEPIBPK-UHFFFAOYSA-N- 분자식
- C28H24N2O5S
- 평균 분자량
- 500.6 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-[(3-cyano-4,6-dimethyl-5-phenacylpyridin-2-yl)sulfanylmethyl]-5-hydroxy-1-benzofuran-3-carboxylate
- IUPAC
- ethyl 2-[(3-cyano-4,6-dimethyl-5-phenacyl-2-pyridinyl)sulfanylmethyl]-5-hydroxy-1-benzofuran-3-carboxylate
- 영어명
- ethyl 2-({[3-cyano-4,6-dimethyl-5-(2-oxo-2-phenylethyl)-2-pyridinyl]sulfanyl}methyl)-5-hydroxy-1-benzofuran-3-carboxylate
- 분자식
- C28H24N2O5S
- 분자량
- 500.56556
이름 및 동의어
ethyl 2-({[3-cyano-4,6-dimethyl-5-(2-oxo-2-phenylethyl)-2-pyridinyl]sulfanyl}methyl)-5-hydroxy-1-benzofuran-3-carboxylateOprea1_101528STK755548AKOS001718848ethyl 2-[(3-cyano-4,6-dimethyl-5-phenacylpyridin-2-yl)sulfanylmethyl]-5-hydroxy-1-benzofuran-3-carboxylateAG-205/36818028ETHYL 2-({[3-CYANO-4,6-DIMETHYL-5-(2-OXO-2-PHENYLETHYL)-2-PYRIDYL]SULFANYL}METHYL)-5-HYDROXY-1-BENZOFURAN-3-CARBOXYLATEethyl 2-({[3-cyano-4,6-dimethyl-5-(2-oxo-2-phenylethyl)pyridin-2-yl]sulfanyl}methyl)-5-hydroxy-1-benzofuran-3-carboxylate
데이터베이스 식별자
- CAS
311765-22-7
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 139 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 824
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