(+)-(4aR)-(10bR)-4-methyl-8-mercapto-10b-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-one

HCID 22865069

기본 정보

표준 SMILES
CN1C(=O)CC[C@]2(C)c3ccc(S)cc3CC[C@@H]12
InChIKey
LLDVNHFSAQOVCD-UKRRQHHQSA-N
분자식
C15H19NOS
평균 분자량
261.4 g/mol

이름 및 식별자

우선 이름
(+)-(4aR)-(10bR)-4-methyl-8-mercapto-10b-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-one
IUPAC
(4aR,10bR)-4,10b-dimethyl-8-sulfanyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one

이름 및 동의어

SCHEMBL7465383LLDVNHFSAQOVCD-UKRRQHHQSA-N(+)-(4aR)-(10bR)-4-methyl-8-mercapto-10b-methyl-1,2,3,4,4a, 5,6,10b-octahydrobenzo[f]quinolin-3-one(+)-(4aR)-(10bR)-4-methyl-8-mercapto-10b-methyl-1,2,3,4,4a,-5,6,10b-octahydrobenzo[f]quinolin-3-one(+)-(4aR)-(10bR)-4-methyl-8-mercapto-10b-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-one(+)-(4aR)-(10bR)-4-methyl-8-mercapto-10b-methyl-1,2,3,4,4a,5,6,10b-octahydrobezo[f]quinolin-3-one(+)-(4aR)-(10bR)-4methyl-8-mercapto-10b-methyl-1,2,3,4,4a,-5,6,10b-octahydrobenzo[f]quinolin-3-one

데이터베이스 식별자

PubChem CID
22865069

물성

구조 계산 물성

XLogP
2.7
극성 표면적
21.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
18

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