CAS 145759-34-8 1,2-Benzisothiazole-3-carboxamide, N-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)-, hydrochloride, hydrate (2:2:1) (HCID 3073069)

기본 정보

CAS: 145759-34-8
표준 SMILES: Cl.O=C(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1nsc2ccccc12
InChIKey: WWIGNUZWGZZUKS-UHFFFAOYSA-N
분자식: C23H26ClN5OS2
평균 분자량: 488.1 g/mol
단동위원소 질량: 487.1267305

이름 및 식별자

우선 이름: 1,2-Benzisothiazole-3-carboxamide, N-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)-, hydrochloride, hydrate (2:2:1)
IUPAC: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1,2-benzothiazole-3-carboxamide;hydrochloride

이름 및 동의어

1,2-Benzisothiazole-3-carboxamide, N-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)-, hydrochloride, hydrate (2:2:1)145759-34-8DTXSID30163152RefChem:215601DTXCID7085643SCHEMBL9694494WWIGNUZWGZZUKS-UHFFFAOYSA-NN-[4-(1(1,2-Benzisothiazol-3-yl)-4-piperazinyl)butyl]-1,2-benzisothiazole-3-carboxa mide hydrochlorideN-[4-(1-(1,2-Benzisothiazol-3-yl)-4-piperazinyl)butyl]-1,2-benzisothiazole-3-carboxamide hydrochlorideN-{4-[4-(1,2-Benzothiazol-3-yl)piperazin-1-yl]butyl}-1,2-benzothiazole-3-carboxamide--hydrogen chloride (1/1)

데이터베이스 식별자

CAS: 145759-34-8
PubChem CID: 3073069
DTXSID: DTXSID30163152

물성

구조 계산 물성

극성 표면적: 118 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 7
무거운 원자 수: 32
형식 전하: 0
복잡도: 603

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