1-[(6-tert-Butoxycarbonyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-4-[(6-chloronaphthalen-2-yl)sulfonyl]-2-ethoxycarbonylpiperazine (HCID 22709517)

기본 정보

표준 SMILES: CCOC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)CNC(C(=O)OC(C)(C)C)C2
InChIKey: SFHHZKGPDKELRA-UHFFFAOYSA-N
분자식: C29H33ClN4O7S2
평균 분자량: 649.2 g/mol

이름 및 식별자

우선 이름: 1-[(6-tert-Butoxycarbonyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-4-[(6-chloronaphthalen-2-yl)sulfonyl]-2-ethoxycarbonylpiperazine
IUPAC: tert-butyl 2-[4-(6-chloronaphthalen-2-yl)sulfonyl-2-ethoxycarbonylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate

이름 및 동의어

SCHEMBL6194970SFHHZKGPDKELRA-UHFFFAOYSA-N1-[(6-tert-Butoxycarbonyl -4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-4-[(6-chloronaphthalen-2-yl)sulfonyl]-2-ethoxycarbonylpiperazine1-[(6-tert-Butoxycarbonyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-4-[(6-chloronaphthalen-2-yl)sulfonyl]-2-ethoxycarbonylpiperazine

데이터베이스 식별자

PubChem CID: 22709517

물성

구조 계산 물성

XLogP: 4
극성 표면적: 172 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 11
회전 가능 결합 수: 9
무거운 원자 수: 43
형식 전하: 0
복잡도: 1,160

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