tert-Butyl {4-[(4'-carbamoyl-4-methoxy-biphenyl-3-ylmethyl)-(3-chloro-benzo[b]thiophene-2-carbonyl)-amino]-cyclohexyl}-methyl-carbamate (HCID 59683502)

기본 정보

표준 SMILES: COc1ccc(-c2ccc(C(N)=O)cc2)cc1CN(C(=O)c1sc2ccccc2c1Cl)C1CCC(N(C)C(=O)OC(C)(C)C)CC1
InChIKey: NAICEFNETJIUGJ-UHFFFAOYSA-N
분자식: C36H40ClN3O5S
평균 분자량: 662.2 g/mol

이름 및 식별자

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

이름 및 동의어

SCHEMBL12678400NAICEFNETJIUGJ-UHFFFAOYSA-Ntert-Butyl {4-[(4'-carbamoyl-4-methoxy-biphenyl-3-ylmethyl)-(3-chloro-benzo[b]thiophene-2-carbonyl)-amino]-cyclohexyl}-methyl-carbamatetert-Butyl{4-[(4'-carbamoyl-4-methoxy-biphenyl-3-ylmethyl)-(3-chloro-benzo[b]thiophene-2-carbonyl)-amino]-cyclohexyl}-methyl-carbamate

데이터베이스 식별자

PubChem CID: 59683502

물성

구조 계산 물성

XLogP: 7.5
극성 표면적: 130 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 10
무거운 원자 수: 46
형식 전하: 0
복잡도: 1,060

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