기본 정보
- 표준 SMILES
CCCCCCCCCC(=O)OC(CC)(CC)CCN1CCC(c2noc3cc(F)ccc23)CC1.Cl- InChIKey
CNYNBQUCPQPXHQ-UHFFFAOYSA-N- 분자식
- C29H46ClFN2O3
- 평균 분자량
- 525.1 g/mol
이름 및 식별자
- 우선 이름
- Decanoic acid 1,1-diethyl-3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propyl ester hydrochloride
- IUPAC
- [3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-yl] decanoate;hydrochloride
이름 및 동의어
Decanoic acid 1,1-diethyl-3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propyl ester hydrochlorideDecanoic acid 1,1-diethyl-3-[4-[6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propyl ester hydrochlorideCNYNBQUCPQPXHQ-UHFFFAOYSA-NDecanoic acid 1,1-diethyl,3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)1-piperidinyl]-propyl ester hydrochlorideDecanoic acid 1,1-diethyl-3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1 -piperidinyl]-propyl Ester HydrochlorideDecanoic acid 1,1-diethyl-3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-propyl ester hydrochlorideDecanoic acid 1,1-diethyl-3-[4-(6fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propyl ester hydrochlorideDecanoic acid 1.1-diethyl-3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-propyl ester hydrochloride
데이터베이스 식별자
- PubChem CID
- 86749760
물성
구조 계산 물성
- 극성 표면적
- 55.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 607
관련 반응
64건
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