기본 정보
- CAS
82560-27-8- 표준 SMILES
CCOC(=O)CN(CC(=O)OCC)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2- InChIKey
XHHUSSSLQJSOHC-UHFFFAOYSA-N- 분자식
- C20H28N2O7S
- 평균 분자량
- 440.5 g/mol
- 단동위원소 질량
- 440.16172224
이름 및 식별자
- 우선 이름
- Glycine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(2-ethoxy-2-oxoethyl)-, ethyl ester
- IUPAC
- ethyl 2-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-(2-ethoxy-2-oxoethyl)amino]acetate
- 현지명
- 에틸2-[[(2,2-디메틸-3H-벤조푸란-7-일)옥시카르보닐-메틸-아미노]술파닐-(에톡시카르보닐메틸)아미노]아세테이트
- 영어명
- ethyl 2-[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]su lfanyl-(ethoxycarbonylmethyl)amino]acetate
- 분자식
- C20H28N2O7S
- 분자량
- 440.51
이름 및 동의어
82560-27-8Glycine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(2-ethoxy-2-oxoethyl)-, ethyl esterDTXSID90231841RefChem:346335DTXCID20154332Diethyl 2,2'-((((((2,2-dimethyl-2,3-dihydrobenzofuran-7-yl)oxy)carbonyl)(methyl)amino)thio)azanediyl)diacetateSCHEMBL10483209XHHUSSSLQJSOHC-UHFFFAOYSA-N2,3-dihydro-2,2-dimethylbenzofuran-7-yl N-[N,N-bis(ethoxycarbonylmethyl)aminosulfenyl]-N-methylcarbamateDiethyl 2,2'-({[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}azanediyl)diacetate에틸2-[[(2,2-디메틸-3H-벤조푸란-7-일)옥시카르보닐-메틸-아미노]술파닐-(에톡시카르보닐메틸)아미노]아세테이트Fluopyram Impurity 5
이름 더 보기
ethyl 2-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-(2-ethoxy-2-oxoethyl)amino]acetateethyl 2-[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]su lfanyl-(ethoxycarbonylmethyl)amino]acetateGlycine, N-[[[[(2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy]carbonyl]methylamino]thio]-N-(2-ethoxy-2-oxoethyl)-, ethyl ester
데이터베이스 식별자
- CAS
82560-27-8- PubChem CID
- 3067956
- DTXSID
DTXSID90231841
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 120 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 596
물리화학적 성질
- 끓는 점
- 526.96 · 526.960±60.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.248 · 1.248±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- -2.078 · -2.078±0.70(predicted)
화학 및 산업
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