tert-Butyl {4-[(3-chloro-benzo[b]thiophene-2-carbonyl)-(4-methoxy-4'-trifluoromethoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate (HCID 59683491)

기본 정보

표준 SMILES: COc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1CN(C(=O)c1sc2ccccc2c1Cl)C1CCC(N(C)C(=O)OC(C)(C)C)CC1
InChIKey: VFWUCOBVWJLKAK-UHFFFAOYSA-N
분자식: C36H38ClF3N2O5S
평균 분자량: 703.2 g/mol

이름 및 식별자

우선 이름: tert-Butyl {4-[(3-chloro-benzo[b]thiophene-2-carbonyl)-(4-methoxy-4'-trifluoromethoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate
IUPAC: tert-butyl N-[4-[(3-chloro-1-benzothiophene-2-carbonyl)-[[2-methoxy-5-[4-(trifluoromethoxy)phenyl]phenyl]methyl]amino]cyclohexyl]-N-methylcarbamate

이름 및 동의어

tert-Butyl {4-[(3-chloro-benzo[b]thiophene-2-carbonyl)-(4-methoxy-4'-trifluoromethoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamateSCHEMBL12678371VFWUCOBVWJLKAK-DIVCQZSQSA-Ntert-Butyl{4-[(3-chloro-benzo[b]thiophene-2-carbonyl)-(4-methoxy-4'-trifluoromethoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate

데이터베이스 식별자

PubChem CID: 59683491

물성

구조 계산 물성

XLogP: 9.9
극성 표면적: 96.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 9
회전 가능 결합 수: 10
무거운 원자 수: 48
형식 전하: 0
복잡도: 1,080

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