3-[1-({3-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-[(2-ethyl-2H-tetrazol-5-yl)methyl]-6-(5-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

HCID 70892437
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기본 정보

표준 SMILES
CCOc1cc2c(cc1OC)C(c1cccc(C(=O)N3CCC(n4c(=O)c5sc(-c6cc(F)ccc6OC)cc5n(Cc5nnn(CC)n5)c4=O)CC3)c1)=N[C@@H]1CCSC[C@H]21
InChIKey
ZVOIMVXCHPUTCB-CZNDPXEESA-N
분자식
C44H45FN8O6S2
평균 분자량
865 g/mol

이름 및 식별자

우선 이름
3-[1-({3-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-[(2-ethyl-2H-tetrazol-5-yl)methyl]-6-(5-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
IUPAC
3-[1-[3-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]benzoyl]piperidin-4-yl]-1-[(2-ethyltetrazol-5-yl)methyl]-6-(5-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-dione

이름 및 동의어

SCHEMBL13369796ZVOIMVXCHPUTCB-CZNDPXEESA-N3-[1-({3-[(4aR,10bR)-9-ethoxy-8-methoxy-3,4,4a,10b-tetrahydro-1H-thiopyrano[4,3-c]isoquinolin-6-yl]phenyl}carbonyl)piperidin-4-yl]-1-[(2-ethyl-2H-tetrazol-5-yl)methyl]-6-(5-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

데이터베이스 식별자

PubChem CID
70892437

물성

구조 계산 물성

XLogP
6.6
극성 표면적
198 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
13
회전 가능 결합 수
11
무거운 원자 수
61

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