기본 정보
- 표준 SMILES
CC1(O)c2ccccc2C(=O)N1CCN1CCC(c2noc3cc(F)ccc23)CC1- InChIKey
CXPXPIGPTSTWKD-UHFFFAOYSA-N- 분자식
- C23H24FN3O3
- 평균 분자량
- 409.5 g/mol
이름 및 식별자
- 우선 이름
- 2,3-dihydro-2-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-3-hydroxy-3-methyl-1H-isoindol-1-one
- IUPAC
- 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-hydroxy-3-methylisoindol-1-one
이름 및 동의어
SCHEMBL1545506CXPXPIGPTSTWKD-UHFFFAOYSA-N2,3-dihydro-2-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-3-hydroxy-3-methyl-1 H-isoindol-1-one2,3-dihydro-2-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-3-hydroxy-3-methyl-1H-isoindol-1-one2,3-dihydro-2-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-3-hydroxy-3methyl-1h-isoindol-1-one2,3-dihydro-2-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)1-piperidinyl]ethyl]-3-hydroxy-3-methyl-1H-isoindol1-one2,3-dihydro-2-[2-[4-(6-fluoro-1,2-benzisoxazole-3-yl)-1-piperidinyl]ehtyl]-3-hydroxy-3-methyl-1H-isoindol-1-one
데이터베이스 식별자
- PubChem CID
- 18467232
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 69.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 643
관련 반응
48건
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