N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-5,6-dihydro-1,4-oxathiine-2-carboxamide
기본 정보
- CAS
1018165-80-4- 표준 SMILES
O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccco1)C1CCS(=O)(=O)C1- InChIKey
OVRYRHLAXXWCLP-UHFFFAOYSA-N- 분자식
- C20H21NO5S2
- 평균 분자량
- 419.5 g/mol
- 단동위원소 질량
- 419.08611512
이름 및 식별자
- 우선 이름
- N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-5,6-dihydro-1,4-oxathiine-2-carboxamide
- IUPAC
- N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide
- 영어명
- N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-5,6-dihydro-1,4-oxathiine-2-carboxamide
- 분자식
- C20H21NO5S2
- 분자량
- 419.51
이름 및 동의어
1018165-80-41,4-Oxathiin-2-carboxamide, N-(2-furanylmethyl)-5,6-dihydro-3-phenyl-N-(tetrahydro-1,1-dioxido-3-thienyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-3-phenyl-5,6-dihydro-1,4-oxathiine-2-carboxamideDTXSID701111570STK640155AKOS005571949NCGC00342500-01AB01334463-02N-(1,1-Dioxo-1lambda~6~-thiolan-3-yl)-N-[(furan-2-yl)methyl]-3-phenyl-5,6-dihydro-1,4-oxathiine-2-carboxamideN-(2-Furanylmethyl)-5,6-dihydro-3-phenyl-N-(tetrahydro-1,1-dioxido-3-thienyl)-1,4-oxathiin-2-carboxamide
데이터베이스 식별자
- CAS
1018165-80-4- PubChem CID
- 42651059
- DTXSID
DTXSID701111570
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 709
관련 반응
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