기본 정보
- 표준 SMILES
COc1nc2c(C(=O)Nc3ccc(C(=O)N(C)c4ccc(C)cc4OCCCCCC(=O)N4CCN(C)CC4)cc3OC)cccc2[nH]1- InChIKey
VDUHWXBBPYYIJW-UHFFFAOYSA-N- 분자식
- C36H44N6O6
- 평균 분자량
- 656.8 g/mol
- 단동위원소 질량
- 656.33223314
이름 및 식별자
- 우선 이름
- 3-methoxy-4-(2-methoxy-1H-benzimidazol-4-yl)carbonylamino-N-methyl-N-[4-methyl-2-[5-(4-methylpiperazin-1-yl)carbonylpent-1-yloxy]phenyl]benzamide
- IUPAC
- 2-methoxy-N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]-1H-benzimidazole-4-carboxamide
이름 및 동의어
SCHEMBL7473089VDUHWXBBPYYIJW-UHFFFAOYSA-N3-methoxy-4-(2-methoxy-1 H-benzimidazol-4-yl)carbonylamino-N-methyl-N-(4-methyl-2-[5-(4-methylpiperazin-1-yl)carbonylpent-1-yloxy]phenyl]benzamide3-methoxy-4-(2-methoxy-1H-benzimidazol-4-yl)carbonylamino-N-methyl-N-[4-methyl-2-[5-(4-methylpiperazin-1-yl)carbonylpent-1-yloxy]phenyl]benzamide4-(2-methoxy-1 H-benzimidazol-4-yl)carbonylamino-3-methoxy-N-methyl-N-[4-methyl-2-[5-(4-methylpiperazin-1-yl)carbonylpent-1-yloxy]phenyl]benzamide4-(2-methoxy-1H-benzimidazol-4-yl)carbonylamino-3-methoxy-N-methyl-N-[4-methyl-2-[5-(4-methylpiperazin-1-yl)carbonylpent-1-yloxy]phenyl]benzamide
데이터베이스 식별자
- PubChem CID
- 18354872
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 129 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,060
관련 반응
5건
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