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
- 형식 전하
- 0
- 복잡도
- 1,050
관련 반응
10건
화합물 노트
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