8-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-(3-methyl-4-[[[4-methyl-1-propylimidazol-5-yl]methyl]sulfanyl]phenyl)-1,2,3,4-tetrahydro-1-benzoazocine-5-carboxamide

HCID 68649925

기본 정보

표준 SMILES
CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(SCc4c(C)ncn4CCC)c(C)c2)CCCN3CC(C)C)cc1
InChIKey
DASBMQXQVXXJIW-UHFFFAOYSA-N
분자식
C43H56N4O3S
평균 분자량
709 g/mol

이름 및 식별자

우선 이름
8-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-(3-methyl-4-[[[4-methyl-1-propylimidazol-5-yl]methyl]sulfanyl]phenyl)-1,2,3,4-tetrahydro-1-benzoazocine-5-carboxamide
IUPAC
8-[4-(2-butoxyethoxy)phenyl]-N-[3-methyl-4-[(5-methyl-3-propylimidazol-4-yl)methylsulfanyl]phenyl]-1-(2-methylpropyl)-3,4-dihydro-2H-1-benzazocine-5-carboxamide

이름 및 동의어

8-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-(3-methyl-4-[[[4-methyl-1-propylimidazol-5-yl]methyl]sulfanyl]phenyl)-1,2,3,4-tetrahydro-1-benzoazocine-5-carboxamide8-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[3-methyl-4-[[(4-methyl-1-propylimidazol-5-yl]methyl]sulfanyl]phenyl]-1,2,3,4-tetrahydro-1-benzoazocine-5-carboxamide8-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[3-methyl-4-[[[4-methyl-1-propylimidazol-5-yl]methyl]sulfanyl]phenyl]-1,2,3,4-tetrahydro-1-benzoazocine-5-carboxamideSCHEMBL3458872DASBMQXQVXXJIW-UHFFFAOYSA-N

데이터베이스 식별자

PubChem CID
68649925

물성

구조 계산 물성

XLogP
9.5
극성 표면적
93.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
17
무거운 원자 수
51

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