(S)-3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-methylpropylmethyl carbamate

HCID 53784931

기본 정보

표준 SMILES
C[C@@H](CCOC(N)=O)CN1CCC(c2noc3cc(F)ccc23)CC1
InChIKey
DXUVYTHMGHNSSB-LBPRGKRZSA-N
분자식
C18H24FN3O3
평균 분자량
349.4 g/mol

이름 및 식별자

우선 이름
(S)-3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-methylpropylmethyl carbamate
IUPAC
[(3S)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methylbutyl] carbamate

이름 및 동의어

SCHEMBL1544840DXUVYTHMGHNSSB-LBPRGKRZSA-N(S) -3-[4-(6-Fluoro1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-methylpropyl-methyl carbamate(S)-3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-methylpropyl-methyl carbamate(S)-3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-methylpropylmethyl carbamate(S)-3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-l-piperidinyl]-2-methylpropylmethyl carbamate(S)-3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)1-piperidinyl]-2-methylpropyl -methyl carbamate

데이터베이스 식별자

PubChem CID
53784931

물성

구조 계산 물성

XLogP
2.9
극성 표면적
81.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
7
무거운 원자 수
25

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