기본 정보
- CAS
98102-61-5- 표준 SMILES
Cc1cc(CCCCCCCOc2ccc(C3=N[C@@H](C)CO3)cc2)on1- InChIKey
NEAZMARKCJKUMF-KRWDZBQOSA-N- 분자식
- C21H28N2O3
- 평균 분자량
- 356.5 g/mol
- 단동위원소 질량
- 356.20999276
개요
structure given in first source; RN given refers to (+-)-isomer; RN for cpd without isomeric designation not available 7/89
이름 및 식별자
- 우선 이름
- Win 52084
- IUPAC
- 3-methyl-5-[7-[4-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]heptyl]-1,2-oxazole
이름 및 동의어
98102-61-5Win 52084Win-52084RefChem:194881Isoxazole, 5-[7-[4-[(4S)-4,5-dihydro-4-methyl-2-oxazolyl]phenoxy]heptyl]-3-methyl-(S)-3-Methyl-5-(7-(4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy)heptyl)isoxazole3-methyl-5-(7-{4-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-1,2-oxazole3-methyl-5-[7-[4-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]heptyl]-1,2-oxazole5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazoleCHEMBL167672DTXSID409134483-Methyl-5-{7-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]heptyl}-1,2-oxazole
이름 더 보기
5-(7-(4-(4,5-Dihydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazoleWIN I(S); WIN 52084 (S)3-methyl-5-(7-{4-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)isoxazole3-methyl-5-[7-[4-[(4S)-4-methyl-4,5-dihydrooxazol-2-yl]phenoxy]heptyl]isoxazoleIsoxazole, 5-(7-(4-(4,5-dihydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-, (S)-
데이터베이스 식별자
- CAS
98102-61-5- PubChem CID
- 127087
- DTXSID
DTXSID40913448- ChEMBL
CHEMBL167672- Nikkaji
- J253.605F
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 56.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 435
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