기본 정보
- CAS
263843-04-5- 표준 SMILES
CCNS(=O)(=O)Nc1cc(C(C)(C)C)c(SC2=C(O)CC(CCc3ccccc3)(C(C)C)OC2=O)cc1C- InChIKey
ZQILZILEOFRSNZ-UHFFFAOYSA-N- 분자식
- C29H40N2O5S2
- 평균 분자량
- 560.8 g/mol
- 단동위원소 질량
- 560.23786473
이름 및 식별자
- 우선 이름
- (+-)-Sulfamide, N-(4-((5,6-dihydro-4-hydroxy-6-(1-methylethyl)-2-oxo-6-(2-phenylethyl)-2H-pyran-3-yl)thio)-5-(1,1-dimethylethyl)-2-methylphenyl)-N'-ethyl-
- IUPAC
- 5-[2-tert-butyl-4-(ethylsulfamoylamino)-5-methylphenyl]sulfanyl-4-hydroxy-2-(2-phenylethyl)-2-propan-2-yl-3H-pyran-6-one
이름 및 동의어
263843-04-5(+-)-Sulfamide, N-(4-((5,6-dihydro-4-hydroxy-6-(1-methylethyl)-2-oxo-6-(2-phenylethyl)-2H-pyran-3-yl)thio)-5-(1,1-dimethylethyl)-2-methylphenyl)-N'-ethyl-RefChem:203712CHEMBL169074N-[4-[[5,6-Dihydro-4-hydroxy-6-(1-methylethyl)-2-oxo-6-(2-phenylethyl)-2H-pyran-3-yl]thio]-5-(1,1-dimethylethyl)-2-methylphenyl]-N'-ethylsulfamiden-(5-tert-butyl-4-{[6-hydroxy-4-oxo-2-(2-phenylethyl)-2-(propan-2-yl)-3,4-dihydro-2h-pyran-5-yl]sulfanyl}-2-methylphenyl)-n'-ethylsulfuric diamideDihydropyran-2-one deriv. 63DTXSID30949271(+/-)-Sulfamide, N-[4-[[5,6-dihydro-4-hydroxy-6-(1-methylethyl)-2-oxo-6-(2-phenylethyl)-2H-pyran-3-yl]thio]-5-(1,1-dimethylethyl)-2-methylphenyl]-N'-ethyl-5-[2-tert-butyl-4-(ethylsulfamoylamino)-5-methyl-phenyl]sulfanyl-4-hydroxy-2-isopropyl-2-phenethyl-3H-pyran-6-one
데이터베이스 식별자
- CAS
263843-04-5- PubChem CID
- 54685692
- DTXSID
DTXSID30949271- ChEMBL
CHEMBL169074
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 138 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 947
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