2,2,2-trichloroethyl 6,7-bis(2-methylpropanoyloxy)-1-[(1-methyltetrazol-5-yl)sulfanylmethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-6,7-bis(2-methyl-1-oxopropoxy)-1-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-, 2,2,2-trichloroethyl ester

https://huagongshe.com/ko/chemical/178928811

2,2,2-trichloroethyl 6,7-bis(2-methylpropanoyloxy)-1-[(1-methyltetrazol-5-yl)sulfanylmethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate 분자 구조식

식별자 및 물리적 특성

CAS No.	80128-91-2
분자식	C23H28Cl3N5O6S
평균 분자량	608.9 g/mol
SMILES	CC(C)C(=O)Oc1cc2c(cc1OC(=O)C(C)C)C(CSc1nnnn1C)N(C(=O)OCC(Cl)(Cl)Cl)CC2
InChIKey	RJMZYPJBILDMJO-UHFFFAOYSA-N

화학 및 물리적 성질

XLogP	5.3
극성 표면적	151
수소 결합 공여자 수	0
수소 결합 수용자 수	10
회전 가능 결합 수	11
무거운 원자 수	38
형식 전하	0
복잡도	851