3,3a, 4,5-Tetrahydro-3a-methoxycarbonyl-N-[4-(trifluoromethyl)phenyl]-N-[N'-(1-methylethyl)-N'-(ethoxycarbonyl)aminosulfenyl]-2H-benz[g]indazole-2-carboxamide

HCID 88396715
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기본 정보

표준 SMILES
CCOC(=O)N(SN(C(=O)N1CC2(C(=O)OC)CCc3ccccc3C2=N1)c1ccc(C(F)(F)F)cc1)C(C)C
InChIKey
WCXZRXDFSGFDTO-UHFFFAOYSA-N
분자식
C27H29F3N4O5S
평균 분자량
578.6 g/mol

이름 및 식별자

우선 이름
3,3a, 4,5-Tetrahydro-3a-methoxycarbonyl-N-[4-(trifluoromethyl)phenyl]-N-[N'-(1-methylethyl)-N'-(ethoxycarbonyl)aminosulfenyl]-2H-benz[g]indazole-2-carboxamide
IUPAC
methyl 2-[[ethoxycarbonyl(propan-2-yl)amino]sulfanyl-[4-(trifluoromethyl)phenyl]carbamoyl]-4,5-dihydro-3H-benzo[g]indazole-3a-carboxylate

이름 및 동의어

3,3a, 4,5-Tetrahydro-3a-methoxycarbonyl-N-[4-(trifluoromethyl)phenyl]-N-[N'-(1-methylethyl)-N'-(ethoxycarbonyl)aminosulfenyl]-2H-benz[g]indazole-2-carboxamideSCHEMBL89965873,3a,4,5-Tetrahydro-3a-methoxycarbonyl-N-[4-(trifluoromethyl)phenyl]-N-[N'-(1-methyl ethyl)-N'-(ethoxycarbonyl)aminosulfenyl]-2H-benz[g]indazole-2-carboxamide3.3a,4,5-Tetrahydro-3a-methoxycarbonyl-N-[4-(trifluoromethyl)phenyl]-N-[N'-(1-methylethyl)-N'-(ethoxycarbonyl)aminosulfenyl]-2H-benz[g]indazole-2-carboxamide

데이터베이스 식별자

PubChem CID
88396715

물성

구조 계산 물성

XLogP
5.7
극성 표면적
117 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
10
회전 가능 결합 수
8
무거운 원자 수
40

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